NPASS Compound

Natural Product: NPC88923

Natural Product ID	NPC88923
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	Reserpine
IUPAC Name	methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Synonyms	Hiserpia; Rau-Sed; Reserpine; Sandril; Serpalan; Serpanray; Serpasil; Serpate; Serpivite
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL772
PubChem CID	5770
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000279] Alkaloids and derivatives [CHEMONTID:0001786] Yohimbine alkaloids

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

Chemical Representations

RDKit 3D 84 89 0 0 0 0 0 0 0 0999 V2000 10.3283 -1.3742 2.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0354 -0.1545 1.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8302 0.0688 1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6178 1.3022 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4353 1.5462 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4517 0.5689 -0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 -0.6659 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8486 -0.8751 0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 -1.3829 0.0304 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -0.6540 -0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2185 0.5682 -0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4992 1.5980 -1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4109 1.1108 -2.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9805 -0.2150 -2.3781 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -0.9489 -1.2268 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2521 -0.9392 -0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 0.3224 -0.1686 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8009 0.4369 -1.5299 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5549 -0.2937 -2.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5996 -0.1396 -1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.7558 -0.6498 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8012 1.1352 0.6363 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4533 0.3323 0.9584 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1065 -1.0004 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0881 -1.3691 1.4666 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 -1.8542 2.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -3.1058 2.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 2.4827 0.7651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 3.0708 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 0.2607 -0.4671 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 0.9001 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 1.9688 -1.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2300 0.4102 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4973 -0.7686 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8020 -1.1796 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0712 -2.3590 0.7376 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0249 -3.1260 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8366 -0.4398 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5953 0.7327 -1.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2843 1.1244 -1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6593 1.4337 -1.7009 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4006 2.6382 -2.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1517 -0.8713 -0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9653 -0.4896 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7943 -1.5345 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1737 -2.2526 1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4272 -1.3590 2.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3974 2.0675 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2393 2.5061 -0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0143 -1.8466 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4116 -2.3785 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 2.3385 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 2.1966 -2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 1.2346 -3.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5775 1.8748 -2.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3704 -2.0376 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8249 -0.9790 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 -1.7919 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 1.1556 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6888 1.5108 -1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3177 0.2363 -3.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2896 -1.3629 -2.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 -0.1023 -2.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.2020 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 1.7154 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5232 0.8805 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8998 0.8851 1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -3.9207 1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 -3.4313 3.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -3.0841 2.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3136 2.9854 1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 2.6290 2.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 4.1398 1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6498 -1.2947 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3615 -4.1103 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2093 -3.2619 0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5409 -2.5974 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1202 2.0595 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3589 2.9976 -2.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9701 3.3975 -1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6778 2.4340 -3.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8177 -1.2206 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3532 0.5426 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3980 -0.5810 1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 22 28 1 0 28 29 1 0 21 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 35 38 2 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 38 43 1 0 43 44 1 0 8 3 1 0 15 10 1 0 23 17 1 0 40 33 1 0 11 6 1 0 19 14 1 0 1 45 1 0 1 46 1 0 1 47 1 0 4 48 1 0 5 49 1 0 8 50 1 0 9 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 15 56 1 6 16 57 1 0 16 58 1 0 17 59 1 1 18 60 1 6 19 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 21 65 1 6 22 66 1 1 23 67 1 1 27 68 1 0 27 69 1 0 27 70 1 0 29 71 1 0 29 72 1 0 29 73 1 0 34 74 1 0 37 75 1 0 37 76 1 0 37 77 1 0 40 78 1 0 42 79 1 0 42 80 1 0 42 81 1 0 44 82 1 0 44 83 1 0 44 84 1 0 M END

Standard InCHIKey	QEVHRUUCFGRFIF-MDEJGZGSSA-N
Standard InCHI	InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
SMILES	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC

Calculated Properties

Physi-Chem Properties

MedChem Properties

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

ADMET: Distribution

ADMET: Metabolism

ADMET: Excretion

ADMET: Toxicity

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/s11240-015-0798-z]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.fitote.2006.01.011]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.jarmap.2018.11.004]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.plaphy.2005.07.013]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1078/0176-1617-00195]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1080/01496395.2011.635623]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1155/2014/609649]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10757735]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[14735439]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	callus	n.a.	PMID[15715262]
NPO32758	rauwolfia serpentina	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15974606]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18220354]
NPO17362	Alstonia yunnanensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19775092]
NPO13214	Ipomoea alba	Species	Convolvulaceae	Eukaryota	seeds	n.a.	n.a.	PMID[22924480]
NPO13214	Ipomoea alba	Species	Convolvulaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[28006904]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28445039]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	Roots	n.a.	n.a.	PMID[30024167]
NPO24983	Salvia amarissima	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30500200]
NPO40106	Dioscorea cotinifolia	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32364729]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32560389]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36336219]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38217369]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38416335]
NPO40106	Dioscorea cotinifolia	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13214	Ipomoea alba	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14590	Ruta oreojasme	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11862	Ostrinia nubilalis	Species	Crambidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO25599	Gloxinia erinoides	Species	Gesneriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO1409	Drymonia macrophylla	Species	Gesneriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21627	Bambusa chungii	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO25628.1	Abrus pulchellus subsp. cantoniensis	Subspecies	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13601	Relicina connivens	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12216	Gynura elliptica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13490	Diospyros tricolor	Species	Ebenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO3078	Gentiana pyrenaica	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6602	Vinca major	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO5135	Rauvolfia perakensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7282	Rauvolfia serpentina	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17362	Alstonia yunnanensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14210	Brugmansia arborea	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO2065	Eriostemon deserti	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19809	Streptomyces roseoviolaceus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5135	Rauvolfia perakensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17362	Alstonia yunnanensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO31253	Rauvolfia serpentina	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14590	Ruta oreojasme	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17362	Alstonia yunnanensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12216	Gynura elliptica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5135	Rauvolfia perakensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7282	Rauvolfia serpentina	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14590	Ruta oreojasme	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO31159	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17362	Alstonia yunnanensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5135	Rauvolfia perakensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO31253	Rauvolfia serpentina	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30364	Rauvolfia verticillata	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30558	Rauvolfia yunnanensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7282	Rauvolfia serpentina	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO25628.1	Abrus pulchellus subsp. cantoniensis	Subspecies	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO12216	Gynura elliptica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14210	Brugmansia arborea	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7282	Rauvolfia serpentina	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13601	Relicina connivens	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25628.1	Abrus pulchellus subsp. cantoniensis	Subspecies	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19809	Streptomyces roseoviolaceus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO3078	Gentiana pyrenaica	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4391	Hypericum perforatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11862	Ostrinia nubilalis	Species	Crambidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17362	Alstonia yunnanensis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13214	Ipomoea alba	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6602	Vinca major	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25599	Gloxinia erinoides	Species	Gesneriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24983	Salvia amarissima	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1409	Drymonia macrophylla	Species	Gesneriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14590	Ruta oreojasme	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13490	Diospyros tricolor	Species	Ebenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2065	Eriostemon deserti	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21627	Bambusa chungii	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	Organism Name	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
Potency	270
IC50	56
Inhibition	37
Ki	19
Activity	30
FC	53
MIC	58
MEC	3
Ratio_Papp	1
Ratio_ATPase activity	1
% maximum response	1
FICI	2
MMC	1
K	1
Kd	1
Bmax	1
AC50	107
CD	3
Ratio	5
Concentration	1
IZ	28
Ratio ED50	5
ED50	1
HepSE_bilirubinemia	1
HepSE_cholecystitis	1
HepSE_cholelithiasis	1
HepSE_cirrhosis	1
HepSE_hepatic failure	1
HepSE_hepatic necrosis	1
HepSE_hepatomegaly	1
HepSE_jaundice	2
HepSE_liver fatty	1
HepSE_liver function tests abnormal	1
HepSE_Combined Scores	1
Ratio IC50	3
GI50	51
Hepatotoxicity (acute)	1
Inhibition index	1
Hit score	1
IC50 relative	1
RFU	2
HepSE_liver disease	1
Hepatotoxicity (moderate)	2
Hepatotoxicity (granulomatous hepatitis)	1
Hepatotoxicity (benign tumour)	1
CC50	1
BP	3
Change in BP	6
Heart rate	3
Change in heart rate	6
TIME	1
Group performance time	1
dP/dt	2
Blood pressure	4
Change	4
HepSE_elevated liver function tests	1
HepSE_hepatitis	1
Fabs	1
Css	1

Activity Type	# Activity
Individual protein	302
Cell line	97
Protein family	2
Protein-protein interaction	2
Single protein	19
Organism	157
Unchecked	5
Protein complex group	10
Others	178
Phenotype	15
Non-molecular	5
Unknown	3
Protein complex	2

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT153	Individual protein	Androgen Receptor	Homo sapiens	Potency	n.a.	19460.4	nM	PubChem BioAssay data set
NPT153	Individual protein	Androgen Receptor	Homo sapiens	Potency	n.a.	61006.3	nM	PubChem BioAssay data set
NPT153	Individual protein	Androgen Receptor	Homo sapiens	Potency	n.a.	17870.6	nM	PubChem BioAssay data set
NPT153	Individual protein	Androgen Receptor	Homo sapiens	Potency	n.a.	49932.3	nM	PubChem BioAssay data set
NPT152	Individual protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	44502.2	nM	PubChem BioAssay data set
NPT106	Individual protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	7747.3	nM	PubChem BioAssay data set
NPT106	Individual protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	33488.9	nM	PubChem BioAssay data set
NPT106	Individual protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	8956.5	nM	PubChem BioAssay data set
NPT153	Individual protein	Androgen Receptor	Homo sapiens	Potency	n.a.	50366.3	nM	PubChem BioAssay data set
NPT106	Individual protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	54846.9	nM	PubChem BioAssay data set
NPT163	Individual protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency	n.a.	50366.3	nM	PubChem BioAssay data set
NPT1422	Individual protein	ATP-binding cassette sub-family G member 2	Homo sapiens	IC50	=	26302.68	nM	PMID[18678495]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	81.6	%	PMID[18578473]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	FC	=	2.0	n.a.	PMID[20605275]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	FC	=	4.0	n.a.	PMID[23710549]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	MIC	=	4.0	ug.mL-1	PMID[18524600]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	MIC	=	2.0	ug.mL-1	PMID[18524600]
NPT143	Individual protein	DNA topoisomerase I	Homo sapiens	IC50	=	160000.0	nM	PMID[15974606]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	81.0	%	PMID[18358571]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	IC50	=	8000.0	nM	PMID[17664318]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	FC	=	8.0	n.a.	PMID[17664318]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Activity	=	84.8	%	PMID[20446747]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	MEC	=	25.0	ug ml-1	PMID[30552006]
NPT149	Individual protein	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Homo sapiens	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT1038	Individual protein	Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	28183.8	nM	PubChem BioAssay data set
NPT1226	Individual protein	Caspase-7	Homo sapiens	Potency	=	7943.3	nM	PubChem BioAssay data set
NPT210	Individual protein	Thyroid stimulating hormone receptor	Homo sapiens	Potency	=	15848.9	nM	PubChem BioAssay data set
NPT282	Individual protein	MAP kinase ERK2	Homo sapiens	Potency	=	7943.3	nM	PubChem BioAssay data set
NPT150	Individual protein	Anthrax lethal factor	Bacillus anthracis	Potency	=	15848.9	nM	PubChem BioAssay data set
NPT277	Individual protein	Caspase-1	Homo sapiens	Potency	=	7943.3	nM	PubChem BioAssay data set
NPT2930	Individual protein	Hemoglobin beta chain	Homo sapiens	Potency	=	31622.8	nM	PubChem BioAssay data set
NPT1416	Individual protein	Neuropeptide S receptor	Homo sapiens	Potency	=	10000.0	nM	PubChem BioAssay data set
NPT109	Individual protein	Cytochrome P450 3A4	Homo sapiens	Potency	=	3981.1	nM	PubChem BioAssay data set
NPT10	Individual protein	Geminin	Homo sapiens	Potency	=	11220.2	nM	PubChem BioAssay data set
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	84.8	%	PMID[22432682]
NPT152	Individual protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	25929.0	nM	PubChem BioAssay data set
NPT135	Individual protein	Chromobox protein homolog 1	Homo sapiens	Potency	n.a.	39810.7	nM	PubChem BioAssay data set
NPT10	Individual protein	Geminin	Homo sapiens	Potency	n.a.	16360.1	nM	PubChem BioAssay data set
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	IC50	=	7000.0	nM	PMID[21751791]
NPT198	Individual protein	Vitamin D receptor	Homo sapiens	Potency	n.a.	50118.7	nM	PubChem BioAssay data set
NPT198	Individual protein	Vitamin D receptor	Homo sapiens	Potency	n.a.	35481.3	nM	PubChem BioAssay data set
NPT108	Individual protein	Estrogen receptor alpha	Homo sapiens	Potency	n.a.	39810.7	nM	PubChem BioAssay data set
NPT249	Individual protein	Glucocorticoid receptor	Homo sapiens	Potency	n.a.	3.2	nM	PubChem BioAssay data set
NPT135	Individual protein	Chromobox protein homolog 1	Homo sapiens	Potency	n.a.	50118.7	nM	PubChem BioAssay data set
NPT153	Individual protein	Androgen Receptor	Homo sapiens	Potency	n.a.	28183.8	nM	PubChem BioAssay data set
NPT153	Individual protein	Androgen Receptor	Homo sapiens	Potency	n.a.	22387.2	nM	PubChem BioAssay data set
NPT106	Individual protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	8912.5	nM	PubChem BioAssay data set
NPT106	Individual protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	11220.2	nM	PubChem BioAssay data set
NPT108	Individual protein	Estrogen receptor alpha	Homo sapiens	Potency	n.a.	15848.9	nM	PubChem BioAssay data set
NPT106	Individual protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	35481.3	nM	PubChem BioAssay data set
NPT106	Individual protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	22387.2	nM	PubChem BioAssay data set
NPT198	Individual protein	Vitamin D receptor	Homo sapiens	Potency	n.a.	12589.3	nM	PubChem BioAssay data set
NPT198	Individual protein	Vitamin D receptor	Homo sapiens	Potency	n.a.	31622.8	nM	PubChem BioAssay data set
NPT145	Individual protein	Mu opioid receptor	Homo sapiens	IC50	=	4152.0	nM	DrugMatrix in vitro pharmacology data
NPT145	Individual protein	Mu opioid receptor	Homo sapiens	Ki	=	1686.0	nM	DrugMatrix in vitro pharmacology data
NPT2971	Individual protein	DNA dC->dU-editing enzyme APOBEC-3F	Homo sapiens	Potency	n.a.	31622.8	nM	PubChem BioAssay data set
NPT1456	Individual protein	P-glycoprotein 1	Mus musculus	Ki	=	17900.0	nM	PMID[12235267]
NPT1455	Individual protein	P-glycoprotein 3	Mus musculus	Ki	=	4030.0	nM	PMID[12235267]
NPT10	Individual protein	Geminin	Homo sapiens	Potency	n.a.	29855.4	nM	PubChem BioAssay data set
NPT163	Individual protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency	n.a.	39810.7	nM	PubChem BioAssay data set
NPT163	Individual protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency	n.a.	44668.4	nM	PubChem BioAssay data set
NPT152	Individual protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	53080.4	nM	PubChem BioAssay data set
NPT152	Individual protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	54482.7	nM	PubChem BioAssay data set
NPT10	Individual protein	Geminin	Homo sapiens	Potency	n.a.	11220.2	nM	PubChem BioAssay data set
NPT101	Individual protein	Glucagon-like peptide 1 receptor	Homo sapiens	Potency	n.a.	28183.8	nM	PubChem BioAssay data set
NPT102	Individual protein	Interleukin-8	Homo sapiens	Potency	n.a.	66824.2	nM	PubChem BioAssay data set
NPT103	Individual protein	Nuclear receptor ROR-gamma	Homo sapiens	Potency	n.a.	37578.0	nM	PubChem BioAssay data set
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	FICI	=	0.25	n.a.	PMID[22682300]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	IC50	=	8200.0	nM	PMID[22682300]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	85.1	%	PMID[22682300]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	71.8	%	PMID[22682300]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	48.1	%	PMID[22682300]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	30.0	%	PMID[22682300]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	IC50	=	9200.0	nM	PMID[23710549]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	82.0	%	PMID[23710549]
NPT105	Individual protein	Muscleblind-like protein 1	Homo sapiens	Potency	n.a.	39810.7	nM	PubChem BioAssay data set
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	85.0	%	DOI[10.1039/C2MD20101A]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Activity	=	4.0	ug ml-1	PMID[24499135]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	MMC	=	6.57	uM	PMID[25817769]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	73.0	%	PMID[25817769]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	IC50	=	9000.0	nM	PMID[28594170]
NPT1249	Individual protein	Canalicular multispecific organic anion transporter 2	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT1028	Individual protein	Multidrug resistance-associated protein 4	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Activity	>	100.0	ug ml-1	PMID[30067360]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Activity	=	1.56	ug ml-1	PMID[29908437]
NPT1422	Individual protein	ATP-binding cassette sub-family G member 2	Homo sapiens	IC50	=	12600.0	nM	PMID[28675836]
NPT290	Individual protein	Serotonin 2a (5-HT2a) receptor	Homo sapiens	Ki	>	1000.0	nM	PMID[30240563]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	Inhibition	=	83.06	%	PMID[30552006]
NPT263	Individual protein	Muscarinic acetylcholine receptor M2	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT1410	Individual protein	GABA receptor alpha-1 subunit	Rattus norvegicus	AC50	>	10000.0	nM	PMID[37468498]
NPT261	Individual protein	Monoamine oxidase A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT246	Individual protein	Dopamine transporter	Homo sapiens	AC50	=	29271.2	nM	PMID[37468498]
NPT1478	Individual protein	Vascular endothelial growth factor receptor 2	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT222	Individual protein	Alpha-2a adrenergic receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT232	Individual protein	Cannabinoid CB1 receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT153	Individual protein	Androgen Receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT108	Individual protein	Estrogen receptor alpha	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT291	Individual protein	Serotonin 2b (5-HT2b) receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT244	Individual protein	Dopamine D3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT295	Individual protein	Serotonin transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT1647	Individual protein	Vasopressin V2 receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT1422	Individual protein	ATP-binding cassette sub-family G member 2	Homo sapiens	IC50	=	11800.0	nM	PMID[35483322]
NPT290	Individual protein	Serotonin 2a (5-HT2a) receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT291	Individual protein	Serotonin 2b (5-HT2b) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT1788	Individual protein	Alpha-1a adrenergic receptor	Homo sapiens	AC50	=	12000.0	nM	PMID[37468498]
NPT303	Individual protein	Vasopressin V1a receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT267	Individual protein	Neuropeptide Y receptor type 1	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT2879	Individual protein	Equilibrative nucleoside transporter 1	Homo sapiens	AC50	=	28499.7	nM	PMID[37468498]
NPT222	Individual protein	Alpha-2a adrenergic receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	IC50	=	1700.0	nM	PMID[36044812]
NPT262	Individual protein	Muscarinic acetylcholine receptor M1	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT239	Individual protein	Cholecystokinin A receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT2769	Individual protein	Thromboxane A2 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT2769	Individual protein	Thromboxane A2 receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT108	Individual protein	Estrogen receptor alpha	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT259	Individual protein	Melanocortin receptor 4	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT242	Individual protein	Dopamine D1 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT218	Individual protein	Adenosine A3 receptor	Homo sapiens	AC50	=	26500.3	nM	PMID[37468498]
NPT249	Individual protein	Glucocorticoid receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT264	Individual protein	Muscarinic acetylcholine receptor M3	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT299	Individual protein	Androgen Receptor	Rattus norvegicus	AC50	>	10000.0	nM	PMID[37468498]
NPT228	Individual protein	Norepinephrine transporter	Homo sapiens	AC50	=	13617.6	nM	PMID[37468498]
NPT271	Individual protein	Delta opioid receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT230	Individual protein	Bradykinin B2 receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT2794	Individual protein	Quinolone resistance protein norA	Staphylococcus aureus	IC50	=	9000.0	nM	PMID[36731248]
NPT243	Individual protein	Dopamine D2 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT1464	Individual protein	Phosphodiesterase 4D	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT145	Individual protein	Mu opioid receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT1788	Individual protein	Alpha-1a adrenergic receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT145	Individual protein	Mu opioid receptor	Homo sapiens	AC50	=	3766.3	nM	PMID[37468498]
NPT252	Individual protein	Histamine H2 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT251	Individual protein	Histamine H1 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT1163	Individual protein	Glutamate (NMDA) receptor subunit zeta 1	Rattus norvegicus	AC50	>	10000.0	nM	PMID[37468498]
NPT272	Individual protein	Kappa opioid receptor	Homo sapiens	AC50	=	11710.6	nM	PMID[37468498]
NPT226	Individual protein	Beta-2 adrenergic receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT31	Individual protein	Cyclooxygenase-2	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT263	Individual protein	Muscarinic acetylcholine receptor M2	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT2719	Individual protein	Voltage-gated L-type calcium channel alpha-1C subunit	Rattus norvegicus	AC50	=	8834.9	nM	PMID[37468498]
NPT223	Individual protein	Alpha-2b adrenergic receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT2761	Individual protein	Phosphodiesterase 4A	Homo sapiens	AC50	>	3000.0	nM	PMID[37468498]
NPT242	Individual protein	Dopamine D1 receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT225	Individual protein	Beta-1 adrenergic receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT228	Individual protein	Norepinephrine transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT218	Individual protein	Adenosine A3 receptor	Homo sapiens	AC50	=	17678.7	nM	PMID[37468498]
NPT246	Individual protein	Dopamine transporter	Homo sapiens	AC50	=	12999.9	nM	PMID[37468498]
NPT216	Individual protein	Adenosine A1 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT224	Individual protein	Alpha-2c adrenergic receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT292	Individual protein	Serotonin 2c (5-HT2c) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT217	Individual protein	Adenosine A2a receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT483	Individual protein	Prelamin-A/C	Homo sapiens	Potency	=	17782.8	nM	PubChem BioAssay data set
NPT50	Individual protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	=	44668.4	nM	PubChem BioAssay data set
NPT50	Individual protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	=	56234.1	nM	PubChem BioAssay data set
NPT50	Individual protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	=	10000.0	nM	PubChem BioAssay data set
NPT796	Individual protein	Peripheral myelin protein 22	Homo sapiens	Potency	=	47754.8	nM	PubChem BioAssay data set
NPT58	Individual protein	Bloom syndrome protein	Homo sapiens	Potency	=	17782.8	nM	PubChem BioAssay data set
NPT533	Protein-protein interaction	Runt-related transcription factor 1/Core-binding factor subunit beta	Homo sapiens	Potency	n.a.	25118.9	nM	PubChem BioAssay data set
NPT540	Individual protein	Bile acid receptor FXR	Homo sapiens	Potency	n.a.	25118.9	nM	PubChem BioAssay data set
NPT803	Individual protein	Flap endonuclease 1	Homo sapiens	Potency	n.a.	39810.7	nM	PubChem BioAssay data set
NPT803	Individual protein	Flap endonuclease 1	Homo sapiens	Potency	n.a.	3768.6	nM	PubChem BioAssay data set
NPT9	Individual protein	DNA polymerase eta	Homo sapiens	Potency	n.a.	7943.3	nM	PubChem BioAssay data set
NPT540	Individual protein	Bile acid receptor FXR	Homo sapiens	Potency	n.a.	2511.9	nM	PubChem BioAssay data set
NPT713	Individual protein	Bile salt export pump	Homo sapiens	IC50	=	10200.0	nM	PMID[12739759]
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	25.4	%	PMID[22541068]
NPT713	Individual protein	Bile salt export pump	Homo sapiens	IC50	=	8400.0	nM	PMID[20829430]
NPT713	Individual protein	Bile salt export pump	Homo sapiens	IC50	<	10000.0	nM	PMID[22961681]
NPT713	Individual protein	Bile salt export pump	Homo sapiens	IC50	=	8350.0	nM	PMID[23956101]
NPT26189	Single protein	Synaptic vesicular amine transporter	Mus musculus	IC50	=	1.79	nM	PMID[30240563]
NPT987	Individual protein	Histamine H3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT5301	Individual protein	Motilin receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT4029	Individual protein	Synaptic vesicular amine transporter	Bos taurus	Ki	=	1.0	nM	PMID[18220329]
NPT612	Individual protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	Activity	=	37.0	%	PMID[18457386]
NPT48	Individual protein	Lysine-specific demethylase 4D-like	Homo sapiens	Potency	=	22387.2	nM	PubChem BioAssay data set
NPT94	Individual protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	19952.6	nM	PubChem BioAssay data set
NPT94	Individual protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	39810.7	nM	PubChem BioAssay data set
NPT54	Individual protein	Nonstructural protein 1	Influenza A virus	Potency	=	4466.8	nM	PubChem BioAssay data set
NPT95	Individual protein	Muscarinic acetylcholine receptor M1	Rattus norvegicus	Potency	=	5623.4	nM	PubChem BioAssay data set
NPT96	Individual protein	Thrombopoietin	Homo sapiens	Potency	=	31622.8	nM	PubChem BioAssay data set
NPT95	Individual protein	Muscarinic acetylcholine receptor M1	Rattus norvegicus	Potency	=	8912.5	nM	PubChem BioAssay data set
NPT800	Individual protein	M-phase phosphoprotein 8	Homo sapiens	Potency	n.a.	37685.8	nM	PubChem BioAssay data set
NPT800	Individual protein	M-phase phosphoprotein 8	Homo sapiens	Potency	n.a.	19952.6	nM	PubChem BioAssay data set
NPT7	Individual protein	Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus	Potency	n.a.	44668.4	nM	PubChem BioAssay data set
NPT7	Individual protein	Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus	Potency	n.a.	19952.6	nM	PubChem BioAssay data set
NPT698	Individual protein	Regulator of G-protein signaling 4	Homo sapiens	Potency	n.a.	18869.7	nM	PubChem BioAssay data set
NPT98	Individual protein	HERG	Homo sapiens	Potency	n.a.	794.3	nM	PubChem BioAssay data set
NPT98	Individual protein	HERG	Homo sapiens	Potency	n.a.	5011.9	nM	PubChem BioAssay data set
NPT99	Individual protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	Potency	n.a.	39810.7	nM	PubChem BioAssay data set
NPT99	Individual protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	Potency	n.a.	14125.4	nM	PubChem BioAssay data set
NPT99	Individual protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	Potency	n.a.	28183.8	nM	PubChem BioAssay data set
NPT444	Individual protein	Ubiquitin carboxyl-terminal hydrolase 1	Homo sapiens	Potency	n.a.	22387.2	nM	PubChem BioAssay data set
NPT444	Individual protein	Ubiquitin carboxyl-terminal hydrolase 1	Homo sapiens	Potency	n.a.	28183.8	nM	PubChem BioAssay data set
NPT435	Individual protein	Solute carrier family 22 member 1	Rattus norvegicus	Ki	>	20000.0	nM	PMID[7990927]
NPT612	Individual protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	Ki	=	295000.0	nM	PMID[12134946]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	67.2	%	PMID[22541068]
NPT67	Individual protein	Cholinesterase	Equus caballus	Inhibition	=	15.34	%	PMID[23062825]
NPT612	Individual protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	IC50	=	68400.0	nM	PMID[23956101]
NPT20556	Single protein	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	16.08	%	DOI[10.6019/CHEMBL4495564]
NPT20556	Single protein	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	21.65	%	DOI[10.6019/CHEMBL4495564]
NPT542	Individual protein	Progesterone receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT30115	Protein complex group	20S proteasome	Homo sapiens	FC	=	7.91	n.a.	PMID[37938154]
NPT30115	Protein complex group	20S proteasome	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[37938154]
NPT30115	Protein complex group	20S proteasome	Homo sapiens	CD	=	0.53	uM	PMID[37938154]
NPT30115	Protein complex group	20S proteasome	Homo sapiens	CD	=	1.3	uM	PMID[37938154]
NPT30115	Protein complex group	20S proteasome	Homo sapiens	FC	=	7.0	n.a.	PMID[37938154]
NPT30115	Protein complex group	20S proteasome	Homo sapiens	CD	=	1.6	uM	PMID[37938154]
NPT542	Individual protein	Progesterone receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	-1.89	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	0.37	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT30115	Protein complex group	20S proteasome	Homo sapiens	FC	=	7.9	n.a.	PMID[37938154]
NPT98	Individual protein	HERG	Homo sapiens	AC50	=	1462.4	nM	PMID[37468498]
NPT29430	Single protein	Neuronal acetylcholine receptor protein alpha-4 subunit	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT30115	Protein complex group	20S proteasome	Homo sapiens	FC	=	4.8	n.a.	PMID[37938154]
NPT4358	Individual protein	Type-1 angiotensin II receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT1774	Protein family	Sodium channel alpha subunits; brain (Types I, II, III)	Homo sapiens	IC50	=	1600.0	nM	PMID[2579237]
NPT1774	Protein family	Sodium channel alpha subunits; brain (Types I, II, III)	Homo sapiens	Inhibition	=	100.0	%	PMID[2579237]
NPT51	Individual protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	12589.3	nM	PubChem BioAssay data set
NPT51	Individual protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	14125.4	nM	PubChem BioAssay data set
NPT794	Individual protein	Endonuclease 4	Escherichia coli K-12	Potency	=	6309.6	nM	PubChem BioAssay data set
NPT792	Individual protein	Arachidonate 15-lipoxygenase	Homo sapiens	Potency	=	19952.6	nM	PubChem BioAssay data set
NPT59	Individual protein	DNA polymerase beta	Homo sapiens	Potency	=	31622.8	nM	PubChem BioAssay data set
NPT63	Individual protein	Bromodomain adjacent to zinc finger domain protein 2B	Homo sapiens	Potency	n.a.	28183.8	nM	PubChem BioAssay data set
NPT755	Individual protein	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens	Potency	n.a.	23934.1	nM	PubChem BioAssay data set
NPT46	Individual protein	Thyroid hormone receptor beta-1	Homo sapiens	Potency	n.a.	31622.8	nM	PubChem BioAssay data set
NPT46	Individual protein	Thyroid hormone receptor beta-1	Homo sapiens	Potency	n.a.	50118.7	nM	PubChem BioAssay data set
NPT8	Individual protein	DNA polymerase iota	Homo sapiens	Potency	n.a.	10000.0	nM	PubChem BioAssay data set
NPT445	Individual protein	Peripheral myelin protein 22	Rattus norvegicus	Potency	n.a.	18105.6	nM	PubChem BioAssay data set
NPT755	Individual protein	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens	Potency	n.a.	50118.7	nM	PubChem BioAssay data set
NPT622	Individual protein	Solute carrier organic anion transporter family member 2B1	Homo sapiens	Inhibition	=	72.3	%	PMID[22541068]
NPT66	Individual protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	5.06	%	PMID[23062825]
NPT861	Individual protein	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens	Potency	n.a.	32642.7	nM	PubChem BioAssay data set
NPT29454	Single protein	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	Homo sapiens	Inhibition	=	6.485	%	PMID[38318365]
NPT5104	Individual protein	Phosphodiesterase 3A	Homo sapiens	AC50	>	3000.0	nM	PMID[37468498]
NPT5104	Individual protein	Phosphodiesterase 3A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT92	Individual protein	Serotonin 1a (5-HT1a) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30107	Single protein	Amyloid-beta A4 protein	Homo sapiens	Inhibition	=	68.0	%	PMID[36044812]
NPT92	Individual protein	Serotonin 1a (5-HT1a) receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT28814	Single protein	Ghrelin receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT5975	Individual protein	Cyclooxygenase-1	Rattus norvegicus	AC50	=	18800.1	nM	PMID[37468498]
NPT30109	Single protein	Vesicular amine transporter 1	Homo sapiens	IC50	=	50.0	nM	FFN206 based assay for SLC18A1 using HEK-293 SLC18A1 OE cells
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ki	=	100.0	nM	PMID[12477351]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	IC50	=	3019.95	nM	PMID[17890094]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	IC50	=	3235.94	nM	PMID[18678495]
NPT197	Protein-protein interaction	Menin/Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	12589.3	nM	PubChem BioAssay data set
NPT864	Individual protein	Lethal(3)malignant brain tumor-like protein 1	Homo sapiens	Potency	=	28183.8	nM	PubChem BioAssay data set
NPT532	Individual protein	Lysine-specific demethylase 4A	Homo sapiens	Potency	n.a.	56234.1	nM	PubChem BioAssay data set
NPT443	Individual protein	Histone acetyltransferase GCN5	Homo sapiens	Potency	n.a.	7079.5	nM	PubChem BioAssay data set
NPT5	Individual protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency	n.a.	22387.2	nM	PubChem BioAssay data set
NPT5	Individual protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency	n.a.	2511.9	nM	PubChem BioAssay data set
NPT5	Individual protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency	n.a.	17782.8	nM	PubChem BioAssay data set
NPT62	Individual protein	6-phospho-1-fructokinase	Trypanosoma brucei	Potency	n.a.	30131.3	nM	PubChem BioAssay data set
NPT64	Individual protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency	n.a.	10000.0	nM	PubChem BioAssay data set
NPT64	Individual protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency	n.a.	11577.4	nM	PubChem BioAssay data set
NPT546	Individual protein	Retinoid X receptor alpha	Homo sapiens	Potency	n.a.	6309.6	nM	PubChem BioAssay data set
NPT546	Individual protein	Retinoid X receptor alpha	Homo sapiens	Potency	n.a.	31622.8	nM	PubChem BioAssay data set
NPT546	Individual protein	Retinoid X receptor alpha	Homo sapiens	Potency	n.a.	7079.5	nM	PubChem BioAssay data set
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ratio_Papp	=	3.71	n.a.	PMID[11602674]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ratio_ATPase activity	=	3.85	n.a.	PMID[11602674]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	% maximum response	=	51.1	%	PMID[11602674]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	IC50	=	500.0	nM	PMID[11716514]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	IC50	=	2100.0	nM	PMID[11716514]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	IC50	=	2600.0	nM	PMID[11716514]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	IC50	=	3900.0	nM	PMID[11716514]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	IC50	=	5300.0	nM	PMID[11716514]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	IC50	=	6100.0	nM	PMID[11716514]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ki	=	970.0	nM	PMID[11961113]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ki	=	11500.0	nM	PMID[12134945]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ki	=	12200.0	nM	PMID[11961113]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ki	=	2310.0	nM	PMID[12636153]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	FC	=	29.2	n.a.	PMID[23273047]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	FC	=	4.4	n.a.	PMID[23273047]
NPT26188	Single protein	Synaptic vesicular amine transporter	Homo sapiens	Ki	=	5.26	nM	PMID[30240563]
NPT26188	Single protein	Synaptic vesicular amine transporter	Homo sapiens	Ki	=	630.0	nM	PMID[30240563]
NPT26188	Single protein	Synaptic vesicular amine transporter	Homo sapiens	FC	=	8.0	n.a.	PMID[30240563]
NPT26188	Single protein	Synaptic vesicular amine transporter	Homo sapiens	K	=	0.028	n.a.	PMID[30240563]
NPT26188	Single protein	Synaptic vesicular amine transporter	Homo sapiens	Kd	=	8.0	nM	PMID[30240563]
NPT26188	Single protein	Synaptic vesicular amine transporter	Homo sapiens	Ki	=	410.0	nM	PMID[30240563]
NPT26188	Single protein	Synaptic vesicular amine transporter	Homo sapiens	IC50	=	13.2	nM	PMID[30240563]
NPT26188	Single protein	Synaptic vesicular amine transporter	Homo sapiens	Bmax	=	0.942	pmol/mg	PMID[30240563]
NPT425	Individual protein	Serotonin 3a (5-HT3a) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT670	Individual protein	Thrombin	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT543	Individual protein	Pregnane X receptor	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT30151	Single protein	Melanocortin receptor 3	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT26188	Single protein	Synaptic vesicular amine transporter	Homo sapiens	IC50	=	15.5	nM	FFN206 based assay for SLC18A2 using HEK-293 SLC18A2 OE cells
NPT5709	Individual protein	Synaptic vesicular amine transporter	Rattus norvegicus	AC50	=	1.0	nM	PMID[37468498]
NPT439	Individual protein	Butyrylcholinesterase	Homo sapiens	IC50	=	2800.0	nM	PMID[36044812]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1171	Cell line	HEp-2	Homo sapiens	ED50	>	20.0	ug ml-1	PMID[18500841]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	67000.0	nM	PMID[15974606]
NPT347	Cell line	Lymphoblastoid cells	Homo sapiens	Potency	=	79432.8	nM	PubChem BioAssay data set
NPT347	Cell line	Lymphoblastoid cells	Homo sapiens	Potency	=	50118.7	nM	PubChem BioAssay data set
NPT347	Cell line	Lymphoblastoid cells	Homo sapiens	Potency	=	31622.8	nM	PubChem BioAssay data set
NPT347	Cell line	Lymphoblastoid cells	Homo sapiens	Potency	=	39810.7	nM	PubChem BioAssay data set
NPT347	Cell line	Lymphoblastoid cells	Homo sapiens	Potency	=	63095.7	nM	PubChem BioAssay data set
NPT71	Cell line	HEK293	Homo sapiens	Potency	n.a.	7943.3	nM	PubChem BioAssay data set
NPT71	Cell line	HEK293	Homo sapiens	Potency	n.a.	7304.8	nM	PubChem BioAssay data set
NPT83	Cell line	MCF7	Homo sapiens	Inhibition	=	38.0	%	PMID[22148475]
NPT370	Cell line	NCI-H23	Homo sapiens	GI50	n.a.	18071.74	nM	PubChem BioAssay data set
NPT371	Cell line	UO-31	Homo sapiens	GI50	n.a.	15100.8	nM	PubChem BioAssay data set
NPT369	Cell line	ACHN	Homo sapiens	GI50	n.a.	15031.42	nM	PubChem BioAssay data set
NPT372	Cell line	HOP-92	Homo sapiens	GI50	n.a.	10839.27	nM	PubChem BioAssay data set
NPT116	Cell line	HL-60	Homo sapiens	GI50	n.a.	14223.29	nM	PubChem BioAssay data set
NPT374	Cell line	SF-539	Homo sapiens	GI50	n.a.	11614.49	nM	PubChem BioAssay data set
NPT373	Cell line	SK-MEL-5	Homo sapiens	GI50	n.a.	15739.83	nM	PubChem BioAssay data set
NPT375	Cell line	Malme-3M	Homo sapiens	GI50	n.a.	17498.47	nM	PubChem BioAssay data set
NPT111	Cell line	K562	Homo sapiens	GI50	n.a.	7112.14	nM	PubChem BioAssay data set
NPT377	Cell line	OVCAR-3	Homo sapiens	GI50	n.a.	18323.14	nM	PubChem BioAssay data set
NPT112	Cell line	MOLT-4	Homo sapiens	GI50	n.a.	7194.49	nM	PubChem BioAssay data set
NPT379	Cell line	HOP-62	Homo sapiens	GI50	n.a.	12647.36	nM	PubChem BioAssay data set
NPT380	Cell line	U-251	Homo sapiens	GI50	n.a.	14962.36	nM	PubChem BioAssay data set
NPT381	Cell line	OVCAR-8	Homo sapiens	GI50	n.a.	19633.6	nM	PubChem BioAssay data set
NPT382	Cell line	OVCAR-5	Homo sapiens	GI50	n.a.	38018.94	nM	PubChem BioAssay data set
NPT383	Cell line	SNB-19	Homo sapiens	GI50	n.a.	16218.1	nM	PubChem BioAssay data set
NPT572	Cell line	DMS-273	Homo sapiens	GI50	n.a.	19998.62	nM	PubChem BioAssay data set
NPT385	Cell line	SR	Homo sapiens	GI50	n.a.	6123.5	nM	PubChem BioAssay data set
NPT384	Cell line	TK-10	Homo sapiens	GI50	n.a.	17458.22	nM	PubChem BioAssay data set
NPT323	Cell line	SW-620	Homo sapiens	GI50	n.a.	26791.68	nM	PubChem BioAssay data set
NPT573	Cell line	M19-MEL	Homo sapiens	GI50	n.a.	20892.96	nM	PubChem BioAssay data set
NPT455	Cell line	NCI-H522	Homo sapiens	GI50	n.a.	17864.88	nM	PubChem BioAssay data set
NPT387	Cell line	M14	Homo sapiens	GI50	n.a.	15417.0	nM	PubChem BioAssay data set
NPT386	Cell line	KM12	Homo sapiens	GI50	n.a.	18407.72	nM	PubChem BioAssay data set
NPT388	Cell line	NCI-H322M	Homo sapiens	GI50	n.a.	22181.96	nM	PubChem BioAssay data set
NPT389	Cell line	RPMI-8226	Homo sapiens	GI50	n.a.	6902.4	nM	PubChem BioAssay data set
NPT456	Cell line	OVCAR-4	Homo sapiens	GI50	n.a.	12735.03	nM	PubChem BioAssay data set
NPT147	Cell line	SK-MEL-2	Homo sapiens	GI50	n.a.	19275.25	nM	PubChem BioAssay data set
NPT81	Cell line	A549	Homo sapiens	GI50	n.a.	17988.71	nM	PubChem BioAssay data set
NPT575	Cell line	KM-20L2	Homo sapiens	GI50	n.a.	16710.91	nM	PubChem BioAssay data set
NPT392	Cell line	SNB-75	Homo sapiens	GI50	n.a.	2697.74	nM	PubChem BioAssay data set
NPT391	Cell line	HCC 2998	Homo sapiens	GI50	n.a.	27797.13	nM	PubChem BioAssay data set
NPT148	Cell line	HCT-15	Homo sapiens	GI50	n.a.	20276.83	nM	PubChem BioAssay data set
NPT393	Cell line	HCT-116	Homo sapiens	GI50	n.a.	13740.42	nM	PubChem BioAssay data set
NPT395	Cell line	SF-268	Homo sapiens	GI50	n.a.	28054.34	nM	PubChem BioAssay data set
NPT731	Cell line	LXFL 529	Homo sapiens	GI50	n.a.	14421.15	nM	PubChem BioAssay data set
NPT576	Cell line	DMS-114	Homo sapiens	GI50	n.a.	15559.66	nM	PubChem BioAssay data set
NPT397	Cell line	NCI-H460	Homo sapiens	GI50	n.a.	18923.44	nM	PubChem BioAssay data set
NPT398	Cell line	UACC-62	Homo sapiens	GI50	n.a.	13304.54	nM	PubChem BioAssay data set
NPT308	Cell line	CAKI-1	Homo sapiens	GI50	n.a.	18113.4	nM	PubChem BioAssay data set
NPT458	Cell line	IGROV-1	Homo sapiens	GI50	n.a.	21478.3	nM	PubChem BioAssay data set
NPT399	Cell line	SF-295	Homo sapiens	GI50	n.a.	17701.09	nM	PubChem BioAssay data set
NPT401	Cell line	786-0	Homo sapiens	GI50	n.a.	14157.94	nM	PubChem BioAssay data set
NPT579	Cell line	DLD-1	Homo sapiens	GI50	n.a.	30549.21	nM	PubChem BioAssay data set
NPT404	Cell line	CCRF-CEM	Homo sapiens	GI50	n.a.	13243.42	nM	PubChem BioAssay data set
NPT403	Cell line	UACC-257	Homo sapiens	GI50	n.a.	15631.48	nM	PubChem BioAssay data set
NPT405	Cell line	NCI-H226	Homo sapiens	GI50	n.a.	19633.6	nM	PubChem BioAssay data set
NPT139	Cell line	HT-29	Homo sapiens	GI50	n.a.	11967.41	nM	PubChem BioAssay data set
NPT170	Cell line	SK-MEL-28	Homo sapiens	GI50	n.a.	10000.0	nM	PubChem BioAssay data set
NPT407	Cell line	COLO 205	Homo sapiens	GI50	n.a.	15667.51	nM	PubChem BioAssay data set
NPT83	Cell line	MCF7	Homo sapiens	FC	=	15.7	n.a.	PMID[25536852]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	0.037	ug.mL-1	PMID[25536852]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	0.31	ug.mL-1	PMID[25536852]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	0.003	ug.mL-1	PMID[25536852]
NPT83	Cell line	MCF7	Homo sapiens	FC	=	27.6	n.a.	PMID[25536852]
NPT83	Cell line	MCF7	Homo sapiens	FC	=	3.9	n.a.	PMID[25536852]
NPT83	Cell line	MCF7	Homo sapiens	FC	=	11.0	n.a.	PMID[28006904]
NPT171	Cell line	MRC5	Homo sapiens	GI50	=	14700.0	nM	PMID[29597171]
NPT65	Cell line	HepG2	Homo sapiens	IC50 relative	=	11800.0	nM	ECBD screening data for assay EOS300108
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	64.0	ug.mL-1	PMID[18362193]
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	256.0	ug.mL-1	PMID[18362193]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	1995.26	nM	PMID[19734910]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	316.23	nM	PMID[19734910]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	2511.89	nM	PMID[19734910]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	1258.93	nM	PMID[19734910]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	794.33	nM	PMID[19734910]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	928.5	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	1471.6	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	1651.1	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	4775.5	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	7568.6	nM	PubChem BioAssay data set
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition index	=	0.5543	n.a.	DOI[10.1101/2020.04.03.023846]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	64.21	%	DOI[10.21203/rs.3.rs-23951/v1]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Hit score	=	0.08143	n.a.	DOI[10.1101/2020.04.21.054387]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	2.65	%	DOI[10.6019/CHEMBL4495565]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	0.79	%	DOI[10.6019/CHEMBL4495565]
NPT24755	Organism	SARS-CoV	Severe acute respiratory syndrome-related coronavirus	IC50	=	3400.0	nM	PMID[32845145]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	9150.0	nM	PMID[32531682]
NPT28438	Unchecked	Unchecked	n.a.	RFU	n.a.	n.a.	n.a.	PMID[35447343]
NPT28438	Unchecked	Unchecked	n.a.	Activity	n.a.	n.a.	n.a.	PMID[35447343]
NPT28438	Unchecked	Unchecked	n.a.	Activity	=	0.3	n.a.	PMID[35472850]
NPT28438	Unchecked	Unchecked	n.a.	Activity	=	0.96	n.a.	PMID[35472850]
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Potency	=	20596.2	nM	PubChem BioAssay data set
NPT1108	Organism	Mycobacterium bovis BCG	Mycobacterium bovis BCG	MIC	=	2.0	ug.mL-1	PMID[19564371]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (acute)	=	0.0	%	PMID[15646539]
NPT29392	Protein complex	Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2	Homo sapiens	AC50	>	10000.0	nM	PMID[37468498]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (moderate)	=	0.0	n.a.	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (moderate)	=	0.0	%	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (granulomatous hepatitis)	=	0.0	n.a.	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (benign tumour)	=	0.0	n.a.	PMID[15646539]
NPT22224	Cell line	Vero C1008	Chlorocebus sabaeus	CC50	=	25000.0	nM	PMID[32845145]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Concentration	=	20.0	ug ml-1	PMID[15149651]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	13.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	12.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	9.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	22.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	20.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	18.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	16.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	21.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	19.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	24.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	28.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	27.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	25.0	mm	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.0	ug.mL-1	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8.0	ug.mL-1	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Activity	=	10.0	%	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Activity	=	40.0	%	PMID[17101679]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	512.0	ug.mL-1	PMID[17101679]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	256.0	ug.mL-1	PMID[17210767]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	128.0	ug.mL-1	PMID[17210767]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Activity	=	72.0	%	PMID[17498961]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	33000.0	nM	PMID[17275293]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	128.0	ug.mL-1	PMID[18578473]
NPT1414	Organism	Drosophila	Drosophila	Activity	=	25.0	%	PMID[18327252]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	62.0	ug.mL-1	PMID[20855745]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	164000.0	nM	PMID[21751791]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	100.0	ug.mL-1	DOI[10.1039/C2MD20101A]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MEC	=	25.0	ug ml-1	DOI[10.1007/s00044-012-0401-7]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	FC	=	0.0	n.a.	DOI[10.1007/s00044-012-0401-7]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	150000.0	nM	PMID[23710549]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>=	64.0	ug.mL-1	PMID[24499135]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Activity	=	32.9	uM	PMID[29597171]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	FC	=	2.0	n.a.	PMID[32364729]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	64.0	ug.mL-1	PMID[24499135]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	16.0	ug.mL-1	PMID[32364729]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Inhibition	=	22.29	%	PMID[35447343]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Activity	=	54056.0	n.a.	PMID[35472850]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Inhibition	=	72.1	%	PMID[35447343]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Activity	=	101532.7	n.a.	PMID[35472850]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.05	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.009	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.02	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.04	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.08	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Potency	n.a.	35349.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	16785.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	31779	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	38828.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	17870.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	17344.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	5955.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	239.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	48459	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	49932.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	1678.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	4993.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	19460.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	26601.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	35656.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	68450.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	847.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	29847	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	39810.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	28079	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	22497.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	11883.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	50118.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	24287	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	705.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	25242.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	21834.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	5308	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	21645.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	4356.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	39662.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	29849.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	56025	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	21131.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	15927.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	18995.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	50366.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	44889	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	12172.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	27488.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	25025.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	48882.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	27250.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	18833.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	10943.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	4216	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	20051.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	10049.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	15089	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	62861.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	17716.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	13333.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	9668.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	22304	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	28323	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	38492.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	44502.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	33491.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	30575.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	21313.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Ratio ED50	=	2.0	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Ratio ED50	=	4.0	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Ratio ED50	=	8.0	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Ratio ED50	=	17.0	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Ratio ED50	=	25.0	n.a.	PMID[8984151]
NPT2	Others	Unspecified	n.a.	Activity	=	79.2	%	PMID[8984151]
NPT2	Others	Unspecified	n.a.	IC50	=	20000.0	nM	PMID[15974606]
NPT2	Others	Unspecified	n.a.	Inhibition	=	32.0	%	PMID[18358571]
NPT2	Others	Unspecified	n.a.	FC	=	4.0	n.a.	PMID[23832254]
NPT2	Others	Unspecified	n.a.	FC	=	0.0	n.a.	PMID[17664318]
NPT2	Others	Unspecified	n.a.	FC	=	2.9	n.a.	PMID[18362193]
NPT2	Others	Unspecified	n.a.	FC	=	2.8	n.a.	PMID[18362193]
NPT2	Others	Unspecified	n.a.	FC	=	1.6	n.a.	PMID[18362193]
NPT2	Others	Unspecified	n.a.	FC	=	2.3	n.a.	PMID[18362193]
NPT2	Others	Unspecified	n.a.	FC	=	2.1	n.a.	PMID[18362193]
NPT2	Others	Unspecified	n.a.	Activity	=	24.6	%	PMID[18362193]
NPT2	Others	Unspecified	n.a.	Activity	=	26.7	%	PMID[18362193]
NPT2	Others	Unspecified	n.a.	Activity	=	32.9	%	PMID[18362193]
NPT2	Others	Unspecified	n.a.	Activity	=	1.0	ug ml-1	PMID[18362193]
NPT2	Others	Unspecified	n.a.	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	=	7943.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	=	1835.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	=	50118.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	=	22387.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	=	31622.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	FC	=	1.3	n.a.	PMID[19687245]
NPT2	Others	Unspecified	n.a.	FC	=	2.7	n.a.	PMID[19687245]
NPT2	Others	Unspecified	n.a.	FC	=	2.5	n.a.	PMID[19687245]
NPT2	Others	Unspecified	n.a.	FC	=	3.3	n.a.	PMID[19687245]
NPT2	Others	Unspecified	n.a.	FC	=	2.0	n.a.	PMID[19687245]
NPT2	Others	Unspecified	n.a.	Potency	n.a.	29092.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	163.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	3548.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	10318.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	IC50	=	3707.0	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified	n.a.	Ki	=	3295.0	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified	n.a.	IC50	=	821.0	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified	n.a.	Ki	=	528.0	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified	n.a.	IC50	=	2050.0	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified	n.a.	Ki	=	1993.0	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified	n.a.	IC50	=	774.0	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified	n.a.	Ki	=	706.0	nM	DrugMatrix in vitro pharmacology data
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_bilirubinemia	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_cholecystitis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_cholelithiasis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_cirrhosis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatic failure	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatic necrosis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatomegaly	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_jaundice	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_liver fatty	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_liver function tests abnormal	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_Combined Scores	=	0.0	n.a.	PMID[22194678]
NPT2	Others	Unspecified	n.a.	Ratio IC50	=	27.6	n.a.	PMID[22148475]
NPT2	Others	Unspecified	n.a.	Ratio IC50	=	3.9	n.a.	PMID[22148475]
NPT2	Others	Unspecified	n.a.	Ratio IC50	=	15.7	n.a.	PMID[22148475]
NPT2	Others	Unspecified	n.a.	Potency	n.a.	2238.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	26603.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	FC	=	29.2	n.a.	PMID[22924480]
NPT2	Others	Unspecified	n.a.	FC	=	4.4	n.a.	PMID[22924480]
NPT2	Others	Unspecified	n.a.	FC	=	15.7	n.a.	PMID[22924480]
NPT2	Others	Unspecified	n.a.	Potency	n.a.	16360.1	nM	PubChem BioAssay data set
NPT1107	Organism	Mycobacterium smegmatis str. MC2 155	Mycobacterium smegmatis str. MC2 155	MIC	=	256.0	ug.mL-1	PMID[23832254]
NPT2	Others	Unspecified	n.a.	Potency	n.a.	17782.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	15848.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	1412.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	25118.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	28190.0	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	28183.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	7943.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	12589.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	31622.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	25118.9	nM	PubChem BioAssay data set
NPT29131	Unknown	Molecular identity unknown	n.a.	Activity	n.a.	n.a.	n.a.	PMID[35447343]
NPT30110	Protein complex	26S proteasome	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[37938154]
NPT29131	Unknown	Molecular identity unknown	n.a.	RFU	=	0.35	n.a.	PMID[35447343]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_liver disease	=	0.0	n.a.	PMID[22194678]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	TIME	=	6.0	hr	PMID[6492071]
NPT32	Organism	Mus musculus	Mus musculus	Group performance time	=	9.0	s	PMID[6492071]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	100.0	%	DOI[10.1007/s00044-007-9041-8]
NPT605	Organism	Homo sapiens	Homo sapiens	Fabs	=	50.0	%	PMID[21051535]
NPT605	Organism	Homo sapiens	Homo sapiens	Css	=	0.001	uM	PMID[23956101]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BP	=	117.0	mmHg	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in BP	=	-18.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in BP	=	-23.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in BP	=	-16.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in BP	=	-10.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in BP	=	-12.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in BP	=	-7.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Heart rate	=	364.0	beats min-1	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in heart rate	=	-34.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in heart rate	=	-44.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in heart rate	=	-40.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in heart rate	=	-32.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change in heart rate	=	-10.0	n.a.	PMID[6492071]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BP	=	-35.0	mmHg	PMID[10447956]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BP	=	-29.0	mmHg	PMID[10447956]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Heart rate	=	-51.0	beats min-1	PMID[10447956]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	dP/dt	=	-1438.0	mmHg s-1	PMID[10447956]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Blood pressure	=	-31.0	mmHg	PMID[8411013]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Blood pressure	=	-24.0	mmHg	PMID[8411013]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Heart rate	=	-47.0	beats min-1	PMID[8411013]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	dp/dt	=	-1580.0	mmHg s-1	PMID[8411013]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change	=	-31.0	%	PMID[10576697]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change	=	-32.0	%	PMID[10576697]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change	=	-15.0	%	PMID[10576697]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Change	=	-22.0	%	PMID[10576697]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Blood pressure	=	-34.0	mmHg	PMID[11520203]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Blood pressure	=	-27.0	mmHg	PMID[11520203]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_elevated liver function tests	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatitis	=	0.0	n.a.	PMID[22194678]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference
Staphylococcus aureus	n.a.	Drug uptake	=	400.0	ng/mg	PMID[17101679]
Staphylococcus aureus	n.a.	Drug uptake	=	270.0	ng/mg	PMID[17101679]
Homo sapiens	Liver	CL	=	18.3	mL.min-1.g-1	PMID[22197392]
Homo sapiens	Plasma	Fu	=	0.95	n.a.	PMID[38516587]

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity	Carcinogenicity	Mutagenicity	Cardiotoxicity	Respiratory Toxicity	Eye Irritation	Endocrine Disruption

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP toxicity records from domain-specific databases. These databases include:
☉ ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
☉ TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]

Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

● The left chart: Distribution of similarity level between NPC88923 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	26953
0.1-0.2	22409
0.2-0.3	411
0.3-0.4	54
0.4-0.5	26
0.5-0.6	1
0.6-0.7	0
0.7-0.8	2
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC100734
1.0	High Similarity	NPC315634
0.8444	Intermediate Similarity	NPC191489
0.7708	Intermediate Similarity	NPC284685
0.55	Remote Similarity	NPC21638

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC88923 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	4746
0.1-0.2	4326
0.2-0.3	69
0.3-0.4	1
0.4-0.5	4
0.5-0.6	0
0.6-0.7	0
0.7-0.8	2
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD7803	Phase 4
0.8444	Intermediate Similarity	NPD7708	Phase 4
0.7708	Intermediate Similarity	NPD7955	Phase 4
0.7708	Intermediate Similarity	NPD7956	Approved

Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data