Molecular Weight:   | 300.06 |
Volume:   | 291.273 |
LogP:   | 3.241 |
LogD:   | 2.557 |
LogS:   | -3.648 |
# Rotatable Bonds:   | 2 |
TPSA:   | 100.13 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 3 |
# Rings:   | 3 |
# Heavy Atoms:   | 6 |
QED Drug-Likeness Score:   | 0.672 |
Synthetic Accessibility Score:   | 2.254 |
Fsp3:   | 0.062 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 1 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -4.92 |
MDCK Permeability:   | 1.0746291081886739e-05 |
Pgp-inhibitor:   | 0.035 |
Pgp-substrate:   | 0.027 |
Human Intestinal Absorption (HIA):   | 0.009 |
20% Bioavailability (F20%):   | 0.004 |
30% Bioavailability (F30%):   | 0.935 |
Blood-Brain-Barrier Penetration (BBB):   | 0.009 |
Plasma Protein Binding (PPB):   | 97.54045104980469% |
Volume Distribution (VD):   | 0.658 |
Pgp-substrate:   | 5.381382465362549% |
CYP1A2-inhibitor:   | 0.971 |
CYP1A2-substrate:   | 0.745 |
CYP2C19-inhibitor:   | 0.671 |
CYP2C19-substrate:   | 0.054 |
CYP2C9-inhibitor:   | 0.746 |
CYP2C9-substrate:   | 0.917 |
CYP2D6-inhibitor:   | 0.753 |
CYP2D6-substrate:   | 0.664 |
CYP3A4-inhibitor:   | 0.653 |
CYP3A4-substrate:   | 0.113 |
Clearance (CL):   | 5.176 |
Half-life (T1/2):   | 0.85 |
hERG Blockers:   | 0.036 |
Human Hepatotoxicity (H-HT):   | 0.089 |
Drug-inuced Liver Injury (DILI):   | 0.978 |
AMES Toxicity:   | 0.651 |
Rat Oral Acute Toxicity:   | 0.094 |
Maximum Recommended Daily Dose:   | 0.237 |
Skin Sensitization:   | 0.68 |
Carcinogencity:   | 0.093 |
Eye Corrosion:   | 0.006 |
Eye Irritation:   | 0.902 |
Respiratory Toxicity:   | 0.182 |
Natural Product ID:   | NPC241838 |
Common Name*:   | Kaempferide |
IUPAC Name:   | 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one |
Synonyms:   | NSC-407294 |
Standard InCHIKey:   | SQFSKOYWJBQGKQ-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3 |
SMILES:   | COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL40919 |
PubChem CID:   |
5281666 |
Chemical Classification**:   |
|
*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1002/hlca.19270100148] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | flower | n.a. | DOI[10.1007/s11418-006-0112-9] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | leaf | n.a. | DOI[10.1007/s11418-006-0112-9] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | stem | n.a. | DOI[10.1007/s11418-006-0112-9] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/0031-9422(81)85171-0] |
NPO19220 | Laurencia nidifica | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/S0031-9422(00)81142-5] |
NPO30782 | Brazilian propolis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | DOI[10.1248/cpb.47.1521] |
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10606602] |
NPO30782 | Brazilian propolis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[11000036] |
NPO24559 | Cotinus coggygria | Species | Anacardiaceae | Eukaryota | Whole plant | n.a. | n.a. |
PMID[11141121] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11514174] |
NPO33450 | aplinia officinarum | Species | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[12350154] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | fruit | Hainan Island, China | 1998 |
PMID[12398545] |
NPO23205 | Anthemis altissima | Species | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[12762812] |
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12951092] |
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[12951092] |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | Petals | n.a. | n.a. |
PMID[15043425] |
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[15930771] |
NPO12006 | Apis mellifera | Species | Apidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17548953] |
NPO22375 | Saussurea salicifolia | Species | Asteraceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[18057725] |
NPO24900 | Vladimiria muliensis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[18293903] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | root | n.a. |
PMID[18484537] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[18484537] |
NPO22561 | Dickeya chrysanthemi | Species | Pectobacteriaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[18803373] |
NPO24900 | Vladimiria muliensis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[19432411] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[19615910] |
NPO13379 | Schizanthus tricolor | Species | Solanaceae | Eukaryota | Aerial parts | n.a. | n.a. |
PMID[20166702] |
NPO11266 | Garcinia cambogia | Species | Clusiaceae | Eukaryota | n.a. | exocarp | n.a. |
PMID[21114277] |
NPO13379 | Schizanthus tricolor | Species | Solanaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[21171571] |
NPO7372 | Rosa laevigata | Species | Rosaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[21384845] |
NPO7372 | Rosa laevigata | Species | Rosaceae | Eukaryota | Leaves | Huangshan, Anhui Province, China | 2008-NOV |
PMID[21384845] |
NPO32851 | brazilian green propolis | Species | n.a. | n.a. | n.a. | Brazilian green propolis | n.a. |
PMID[21865046] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22277277] |
NPO25106 | Arnica parryi | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23501116] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23583435] |
NPO7372 | Rosa laevigata | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23632365] |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24338885] |
NPO27031 | Methanosarcina barkeri | Species | Methanosarcinaceae | Archaea | n.a. | n.a. | n.a. |
PMID[24669201] |
NPO12006 | Apis mellifera | Species | Apidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24675423] |
NPO12006 | Apis mellifera | Species | Apidae | Eukaryota | n.a. | Bako, Ethiopia |
PMID[24926420] |
|
NPO12006 | Apis mellifera | Species | Apidae | Eukaryota | n.a. | Enemore, Ethiopia |
PMID[24926420] |
|
NPO12006 | Apis mellifera | Species | Apidae | Eukaryota | n.a. | Gedo, Ethiopia |
PMID[24926420] |
|
NPO12006 | Apis mellifera | Species | Apidae | Eukaryota | n.a. | Holleta, Ethiopia |
PMID[24926420] |
|
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25757283] |
NPO3013 | Clathria basilana | Species | Microcionidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29094598] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29323912] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[6387056] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | root | n.a. |
PMID[731398] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[731398] |
NPO40537 | Koelreuteria henryi | Species | Sapindaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8350096] |
NPO30782 | Brazilian propolis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[8951168] |
NPO24843 | Pachygone dasycarpa | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[9157192] |
NPO24843 | Pachygone dasycarpa | Species | Menispermaceae | Eukaryota | stem bark | n.a. | n.a. |
PMID[9157192] |
NPO30782 | Brazilian propolis | n.a. | n.a. | n.a. | n.a. | Brazilian propolis | n.a. |
PMID[9677271] |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | Silk Stigma Style | n.a. | n.a. | Database[FooDB] |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO23547 | Strychnos amazonica | Species | Loganiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7541 | Ormosia hosiei | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18896 | Swertia chinensis | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO24328 | Gratiola officinalis | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22848 | Kaempferia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11820 | Amomum villosum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO31046 | Linaria dalmatica | Species | Fringillidae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23478 | Uncaria africana | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29503 | Alstonia spectabilis | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO24559 | Cotinus coggygria | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19220 | Laurencia nidifica | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16900 | Aesculus turbinata | Species | Hippocastanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13473 | Anodendron affine | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11266 | Garcinia cambogia | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1674 | Dalbergia nitidula | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22044 | Tamarix chinensis | Species | Tamaricaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12006 | Apis mellifera | Species | Apidae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8845 | Cacumen tamaricis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11842 | Petasites laevigatus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1479 | Amomum longiligulare | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7372 | Rosa laevigata | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1631 | Amomum xanthioides | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1479 | Amomum longiligulare | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8845 | Cacumen tamaricis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17045 | Argyreia speciosa | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29503 | Alstonia spectabilis | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23478 | Uncaria africana | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16900 | Aesculus turbinata | Species | Hippocastanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1674 | Dalbergia nitidula | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24559 | Cotinus coggygria | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23547 | Strychnos amazonica | Species | Loganiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11266 | Garcinia cambogia | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24328 | Gratiola officinalis | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7372 | Rosa laevigata | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22044 | Tamarix chinensis | Species | Tamaricaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11820 | Amomum villosum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19220 | Laurencia nidifica | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23205 | Anthemis altissima | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11842 | Petasites laevigatus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18896 | Swertia chinensis | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19487 | Dorstenia mannii | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1631 | Amomum xanthioides | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23288 | Justicia betonica | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13473 | Anodendron affine | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22848 | Kaempferia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7541 | Ormosia hosiei | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16900 | Aesculus turbinata | Species | Hippocastanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7372 | Rosa laevigata | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7541 | Ormosia hosiei | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1631 | Amomum xanthioides | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO31046 | Linaria dalmatica | Species | Fringillidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO24559 | Cotinus coggygria | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22848 | Kaempferia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22044 | Tamarix chinensis | Species | Tamaricaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO12006 | Apis mellifera | Species | Apidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23547 | Strychnos amazonica | Species | Loganiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11820 | Amomum villosum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22044 | Tamarix chinensis | Species | Tamaricaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22848 | Kaempferia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO1479 | Amomum longiligulare | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO1631 | Amomum xanthioides | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7372 | Rosa laevigata | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11842 | Petasites laevigatus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7541 | Ormosia hosiei | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9569 | Licaria chrysophylla | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23911 | Alpinia officinarum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16900 | Aesculus turbinata | Species | Hippocastanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24406 | Rhizophora tagal | Species | Rhizophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23547 | Strychnos amazonica | Species | Loganiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11820 | Amomum villosum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19412 | Capsella bursa | Species | Donacidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24118 | Buxus hildebrandtii | Species | Buxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23288 | Justicia betonica | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18488 | Streptomyces griseolus | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13379 | Schizanthus tricolor | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24688 | Streptomyces ramocissimus | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17045 | Argyreia speciosa | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24559 | Cotinus coggygria | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13876 | Cedrela salvadorensis | Species | Meliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23750 | Escontria chiotilla | Species | Cactaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13455 | Hemiselmis virescens | Species | Hemiselmidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13178 | Ornithoglossum viride | Species | Colchicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17431 | Vernonia profuga | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23660 | Alpinia zerumbet | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17562 | Phyllidiella pustulosa | Species | Phyllidiidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29503 | Alstonia spectabilis | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22561 | Dickeya chrysanthemi | Species | Pectobacteriaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23149 | Callistemon coccineus | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18822 | Dacrydium intermedium | Species | Mytilidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23205 | Anthemis altissima | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24589 | Grindelia discoidea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11266 | Garcinia cambogia | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25031 | Petunia nyctaginiflora | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22902 | Alnus alnobetula | Species | Betulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24874 | Croton geayi | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24659 | Eremurus chinensis | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21799 | Bacillus litoralis | Species | Bacillaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23478 | Uncaria africana | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25068 | Zebrina pendula | Species | Enidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1674 | Dalbergia nitidula | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24328 | Gratiola officinalis | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23657 | Ophiocordyceps heteropoda | Species | Ophiocordycipitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17863 | Artocarpus styracifolius | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22924 | Bombus terrestris | Species | Apidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18045 | Holothuria atra | Species | Holothuriidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21242 | Neolitsea villosa | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23837 | Rubus laciniatus | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13651 | Chondodendron toxicoferum | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5280 | Rubia tetragona | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24191 | Drypetes tessmanniana | Species | Putranjivaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22044 | Tamarix chinensis | Species | Tamaricaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1631 | Amomum xanthioides | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22375 | Saussurea salicifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24900 | Vladimiria muliensis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13669 | Hertia cheirifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27031 | Methanosarcina barkeri | Species | Methanosarcinaceae | Archaea | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12006 | Apis mellifera | Species | Apidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14470 | Polypodium decumanum | Species | Polypodiidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27093 | Kniphofia foliosa | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4700 | Pertusaria truncata | Species | Pertusariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16030 | Lecanora coniza | Species | Lecanoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22848 | Kaempferia galanga | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14369 | Pocillopora eydouxi | Species | Pocilloporidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18896 | Swertia chinensis | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27277 | Stenocarpella maydis | Species | Diaporthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21483 | 0nomuraea dietziae | Species | Streptosporangiaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19064 | Forsythia giraldiana | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18875 | Aconitum contortum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19716 | Uvaria lucida | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23375 | Hypericum reptans | Species | Hypericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24937 | Callicarpa acuminata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28259 | Viguiera pinnatilobata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14169 | Acrocarpia paniculata | Species | Sargassaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19220 | Laurencia nidifica | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12521 | Sphaeranthus confertifolius | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24493 | Echinacea simulata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25130 | Hylotrupes bajulus | Species | Cerambycidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25226 | Kalanchoe spathulata | Species | Crassulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24843 | Pachygone dasycarpa | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16705 | Krameria parvifolia | Species | Krameriaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24969 | Ageratum mexicanum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24754 | Tsitsikamma favus | Species | Latrunculiidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19487 | Dorstenia mannii | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24456 | Salvia lavandulifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7372 | Rosa laevigata | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24021 | Eucryphia cordifolia | Species | Cunoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3013 | Clathria basilana | Species | Microcionidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25106 | Arnica parryi | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24813 | Agardhiella tenera | Species | Solieriaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13473 | Anodendron affine | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17445 | Streptomyces corchorusii | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24268 | Pteryxia terebinthina | Species | Apiaceae | 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].
Organism ID | NP ID | 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].
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1455 | Individual Protein | P-glycoprotein 3 | Mus musculus | Kd | = | 5000.0 | nM | PMID[500074] |
NPT1455 | Individual Protein | P-glycoprotein 3 | Mus musculus | Delta Fmax | = | 96.7 | % | PMID[500074] |
NPT1455 | Individual Protein | P-glycoprotein 3 | Mus musculus | Kd | = | 4500.0 | nM | PMID[500075] |
NPT139 | Cell Line | HT-29 | Homo sapiens | Activity | = | 99.77 | n.a. | PMID[500077] |
NPT139 | Cell Line | HT-29 | Homo sapiens | Activity | = | 84.7 | n.a. | PMID[500077] |
NPT139 | Cell Line | HT-29 | Homo sapiens | Caspase induction | = | 1.0 | n.a. | PMID[500077] |
NPT1604 | Individual Protein | Cytochrome P450 1B1 | Homo sapiens | IC50 | = | 6.0 | nM | PMID[500078] |
NPT1603 | Individual Protein | Cytochrome P450 1A1 | Homo sapiens | IC50 | = | 300.0 | nM | PMID[500078] |
NPT208 | Individual Protein | Cytochrome P450 1A2 | Homo sapiens | IC50 | = | 3000.0 | nM | PMID[500078] |
NPT453 | Cell Line | HT-1080 | Homo sapiens | ED50 | < | 8.0 | ug ml-1 | PMID[500080] |
NPT1460 | Cell Line | L929 | Mus musculus | EC50 | = | 129000.0 | nM | PMID[500081] |
NPT1460 | Cell Line | L929 | Mus musculus | EC50 | = | 140000.0 | nM | PMID[500081] |
NPT453 | Cell Line | HT-1080 | Homo sapiens | ED50 | = | 2.91 | ug ml-1 | PMID[500082] |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 20.0 | ug ml-1 | PMID[500083] |
NPT319 | Cell Line | B16 | Mus musculus | IC50 | = | 16000.0 | nM | PMID[500088] |
NPT43 | Individual Protein | Tyrosinase | Agaricus bisporus | Inhibition | = | -1.7 | % | PMID[500088] |
NPT43 | Individual Protein | Tyrosinase | Agaricus bisporus | Inhibition | = | -0.2 | % | PMID[500088] |
NPT43 | Individual Protein | Tyrosinase | Agaricus bisporus | Inhibition | = | 0.2 | % | PMID[500088] |
NPT43 | Individual Protein | Tyrosinase | Agaricus bisporus | Inhibition | = | 1.6 | % | PMID[500088] |
NPT43 | Individual Protein | Tyrosinase | Agaricus bisporus | Inhibition | = | -5.3 | % | PMID[500088] |
NPT43 | Individual Protein | Tyrosinase | Agaricus bisporus | IC50 | > | 100000.0 | nM | PMID[500088] |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 2.0 | ug.mL-1 | PMID[500089] |
NPT208 | Individual Protein | Cytochrome P450 1A2 | Homo sapiens | IC50 | = | 509.0 | nM | PMID[500090] |
NPT1603 | Individual Protein | Cytochrome P450 1A1 | Homo sapiens | IC50 | = | 88.0 | nM | PMID[500090] |
NPT1604 | Individual Protein | Cytochrome P450 1B1 | Homo sapiens | IC50 | = | 25.0 | nM | PMID[500090] |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 23000.0 | nM | PMID[500091] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 22000.0 | nM | PMID[500091] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 32000.0 | nM | PMID[500091] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 173.3 | % | PMID[500092] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 102.5 | % | PMID[500092] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 87.6 | % | PMID[500092] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 79.9 | % | PMID[500092] |
NPT1380 | Individual Protein | Avian myoblastosis virus polyprotein II | Avian myeloblastosis virus | Inhibition | = | 64.6 | % | PMID[500097] |
NPT261 | Individual Protein | Monoamine oxidase A | Homo sapiens | IC50 | = | 190.0 | nM | PMID[500102] |
NPT1385 | Individual Protein | Histone-lysine N-methyltransferase SETD7 | Homo sapiens | IC50 | > | 200000.0 | nM | PMID[500105] |
NPT1567 | Protein Complex | DNA gyrase | Escherichia coli K-12 | IC50 | > | 500.0 | ug.mL-1 | PMID[500076] |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 125.0 | ug.mL-1 | PMID[500076] |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | MIC | > | 125.0 | ug.mL-1 | PMID[500076] |
NPT1521 | Organism | Stenotrophomonas maltophilia | Stenotrophomonas maltophilia | MIC | > | 125.0 | ug.mL-1 | PMID[500076] |
NPT17 | Organism | Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | > | 125.0 | ug.mL-1 | PMID[500076] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 125.0 | ug.mL-1 | PMID[500076] |
NPT2 | Others | Unspecified | Activity | = | 70.6 | % | PMID[500079] | |
NPT2 | Others | Unspecified | Activity | = | 98.7 | % | PMID[500079] | |
NPT2 | Others | Unspecified | Activity | = | 96.1 | % | PMID[500079] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | ED50 | < | 8.0 | ug ml-1 | PMID[500080] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | ED50 | = | 5.95 | ug ml-1 | PMID[500082] |
NPT2 | Others | Unspecified | IC50 | = | 5700.0 | nM | PMID[500084] | |
NPT3888 | Organism | Micrococcus flavus | Micrococcus flavus | MIC | = | 50.0 | ug.mL-1 | PMID[500085] |
NPT451 | Organism | Helicobacter pylori | Helicobacter pylori | MIC | = | 6.25 | ug.mL-1 | PMID[500085] |
NPT314 | Organism | Bacillus cereus | Bacillus cereus | MIC | = | 25.0 | ug.mL-1 | PMID[500085] |
NPT2 | Others | Unspecified | IC50 | = | 30.0 | ug.mL-1 | PMID[500086] | |
NPT673 | Organism | Gallus gallus | Gallus gallus | Inhibition | = | 63.3 | % | PMID[500087] |
NPT2 | Others | Unspecified | Inhibition | = | 0.0 | % | PMID[500088] | |
NPT2 | Others | Unspecified | Inhibition | = | 5.9 | % | PMID[500088] | |
NPT2 | Others | Unspecified | Inhibition | = | 39.9 | % | PMID[500088] | |
NPT2 | Others | Unspecified | Inhibition | = | 81.2 | % | PMID[500088] | |
NPT2 | Others | Unspecified | Inhibition | = | 78.4 | % | PMID[500088] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | -2.0 | % | PMID[500088] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 3.1 | % | PMID[500088] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 7.9 | % | PMID[500088] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 7.4 | % | PMID[500088] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 11.2 | % | PMID[500088] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | > | 100000.0 | nM | PMID[500088] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 39.5 | % | PMID[500092] |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | Kd | = | 4466.84 | nM | PMID[500093] |
NPT1 | Others | Radical scavenging activity | EC50 | = | 97.0 | ug | PMID[500094] | |
NPT191 | Organism | Hepatitis C virus | Hepatitis C virus | Inhibition | = | 27.6 | % | PMID[500095] |
NPT27 | Others | Unspecified | CC50 | > | 50000.0 | nM | PMID[500095] | |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC | = | 32.7 | ug.mL-1 | PMID[500098] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC | = | 26.0 | ug.mL-1 | PMID[500098] |
NPT2 | Others | Unspecified | Activity | = | 143.0 | % | PMID[500101] | |
NPT2 | Others | Unspecified | Activity | = | 237.0 | % | PMID[500101] | |
NPT2 | Others | Unspecified | Activity | = | 281.0 | % | PMID[500101] | |
NPT27 | Others | Unspecified | Activity | = | 112.0 | % | PMID[500101] | |
NPT27 | Others | Unspecified | Activity | = | 111.0 | % | PMID[500101] | |
NPT27 | Others | Unspecified | Activity | = | 95.0 | % | PMID[500101] | |
NPT27 | Others | Unspecified | Activity | = | 97.0 | % | PMID[500101] | |
NPT27 | Others | Unspecified | Activity | = | 98.0 | % | PMID[500101] | |
NPT27 | Others | Unspecified | Activity | = | 99.0 | % | PMID[500101] | |
NPT2 | Others | Unspecified | FC | = | 3.17 | n.a. | PMID[500101] | |
NPT2 | Others | Unspecified | Ratio IC50 | = | 0.89 | n.a. | PMID[500102] | |
NPT20556 | SINGLE PROTEIN | Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | 5.92 | % | PMID[500103] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | -0.07 | % | PMID[500104] |
NPT2 | Others | Unspecified | IC50 | = | 646700.0 | nM | PMID[500106] |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC241838 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
1.0 | High Similarity | NPC152042 |
1.0 | High Similarity | NPC143799 |
0.9925 | High Similarity | NPC230285 |
0.9925 | High Similarity | NPC184536 |
0.9925 | High Similarity | NPC146679 |
0.9925 | High Similarity | NPC59951 |
0.9925 | High Similarity | NPC103342 |
0.9925 | High Similarity | NPC281207 |
0.9925 | High Similarity | NPC269652 |
0.9925 | High Similarity | NPC103904 |
0.9852 | High Similarity | NPC136840 |
0.9852 | High Similarity | NPC90582 |
0.9852 | High Similarity | NPC262094 |
0.9776 | High Similarity | NPC276905 |
0.9774 | High Similarity | NPC187432 |
0.9774 | High Similarity | NPC127447 |
0.9774 | High Similarity | NPC47815 |
0.9774 | High Similarity | NPC473887 |
0.9774 | High Similarity | NPC256042 |
0.9774 | High Similarity | NPC216361 |
0.9774 | High Similarity | NPC281917 |
0.9774 | High Similarity | NPC124784 |
0.9774 | High Similarity | NPC231772 |
0.9774 | High Similarity | NPC29353 |
0.9774 | High Similarity | NPC234133 |
0.9774 | High Similarity | NPC194281 |
0.9774 | High Similarity | NPC116775 |
0.9708 | High Similarity | NPC470216 |
0.9701 | High Similarity | NPC266597 |
0.9701 | High Similarity | NPC299379 |
0.9701 | High Similarity | NPC250266 |
0.9638 | High Similarity | NPC273538 |
0.9638 | High Similarity | NPC216538 |
0.9635 | High Similarity | NPC473042 |
0.9635 | High Similarity | NPC200694 |
0.9627 | High Similarity | NPC13408 |
0.9624 | High Similarity | NPC248872 |
0.9568 | High Similarity | NPC5820 |
0.9568 | High Similarity | NPC124729 |
0.9568 | High Similarity | NPC178343 |
0.9568 | High Similarity | NPC306488 |
0.9565 | High Similarity | NPC9117 |
0.9565 | High Similarity | NPC190637 |
0.9565 | High Similarity | NPC24821 |
0.9565 | High Similarity | NPC158874 |
0.9565 | High Similarity | NPC293053 |
0.9565 | High Similarity | NPC212932 |
0.9559 | High Similarity | NPC18260 |
0.9559 | High Similarity | NPC78913 |
0.9549 | High Similarity | NPC274121 |
0.9549 | High Similarity | NPC50898 |
0.9549 | High Similarity | NPC78540 |
0.9549 | High Similarity | NPC213216 |
0.9496 | High Similarity | NPC326500 |
0.9489 | High Similarity | NPC241100 |
0.9489 | High Similarity | NPC159275 |
0.9485 | High Similarity | NPC99333 |
0.9485 | High Similarity | NPC188947 |
0.9485 | High Similarity | NPC280284 |
0.9485 | High Similarity | NPC201395 |
0.9481 | High Similarity | NPC61546 |
0.9481 | High Similarity | NPC72452 |
0.9478 | High Similarity | NPC172262 |
0.9474 | High Similarity | NPC128216 |
0.9433 | High Similarity | NPC244407 |
0.9433 | High Similarity | NPC296869 |
0.9429 | High Similarity | NPC470458 |
0.9429 | High Similarity | NPC153758 |
0.942 | High Similarity | NPC110969 |
0.942 | High Similarity | NPC282300 |
0.9416 | High Similarity | NPC303633 |
0.9416 | High Similarity | NPC217186 |
0.9416 | High Similarity | NPC274784 |
0.9416 | High Similarity | NPC150648 |
0.9416 | High Similarity | NPC96565 |
0.9416 | High Similarity | NPC329203 |
0.9416 | High Similarity | NPC222342 |
0.9416 | High Similarity | NPC220062 |
0.9416 | High Similarity | NPC53181 |
0.9416 | High Similarity | NPC55018 |
0.9416 | High Similarity | NPC216978 |
0.9416 | High Similarity | NPC310135 |
0.9416 | High Similarity | NPC265871 |
0.9416 | High Similarity | NPC225153 |
0.9416 | High Similarity | NPC301217 |
0.9416 | High Similarity | NPC20709 |
0.9412 | High Similarity | NPC228661 |
0.9412 | High Similarity | NPC290291 |
0.9412 | High Similarity | NPC275055 |
0.9412 | High Similarity | NPC188879 |
0.9403 | High Similarity | NPC57601 |
0.9398 | High Similarity | NPC113006 |
0.9398 | High Similarity | NPC475589 |
0.9398 | High Similarity | NPC278556 |
0.9398 | High Similarity | NPC31872 |
0.9398 | High Similarity | NPC473584 |
0.9366 | High Similarity | NPC470461 |
0.9366 | High Similarity | NPC159103 |
0.9366 | High Similarity | NPC270465 |
0.9366 | High Similarity | NPC87125 |
0.9362 | High Similarity | NPC259632 |
0.9362 | High Similarity | NPC176869 |
0.9362 | High Similarity | NPC44721 |
0.9362 | High Similarity | NPC40086 |
0.9362 | High Similarity | NPC122828 |
0.9362 | High Similarity | NPC476182 |
0.9362 | High Similarity | NPC14001 |
0.9362 | High Similarity | NPC3779 |
0.9362 | High Similarity | NPC166757 |
0.9362 | High Similarity | NPC472918 |
0.9362 | High Similarity | NPC211466 |
0.9357 | High Similarity | NPC71210 |
0.9353 | High Similarity | NPC11561 |
0.9353 | High Similarity | NPC226636 |
0.9348 | High Similarity | NPC188243 |
0.9348 | High Similarity | NPC270883 |
0.9348 | High Similarity | NPC172986 |
0.9348 | High Similarity | NPC284550 |
0.9348 | High Similarity | NPC76445 |
0.9348 | High Similarity | NPC110228 |
0.9348 | High Similarity | NPC261227 |
0.9348 | High Similarity | NPC6407 |
0.9348 | High Similarity | NPC129853 |
0.9348 | High Similarity | NPC150522 |
0.9343 | High Similarity | NPC124269 |
0.9343 | High Similarity | NPC118813 |
0.9338 | High Similarity | NPC121243 |
0.9338 | High Similarity | NPC240147 |
0.9338 | High Similarity | NPC240593 |
0.9328 | High Similarity | NPC257756 |
0.9328 | High Similarity | NPC212631 |
0.9328 | High Similarity | NPC473655 |
0.9328 | High Similarity | NPC10971 |
0.9328 | High Similarity | NPC205468 |
0.9328 | High Similarity | NPC25937 |
0.9328 | High Similarity | NPC129132 |
0.9328 | High Similarity | NPC87231 |
0.9328 | High Similarity | NPC101294 |
0.9323 | High Similarity | NPC5515 |
0.9323 | High Similarity | NPC270369 |
0.9323 | High Similarity | NPC137264 |
0.9301 | High Similarity | NPC188871 |
0.9301 | High Similarity | NPC61258 |
0.9301 | High Similarity | NPC166753 |
0.9301 | High Similarity | NPC50728 |
0.9301 | High Similarity | NPC149127 |
0.9301 | High Similarity | NPC286342 |
0.9296 | High Similarity | NPC470460 |
0.9291 | High Similarity | NPC229190 |
0.9291 | High Similarity | NPC220418 |
0.9286 | High Similarity | NPC113770 |
0.9281 | High Similarity | NPC324386 |
0.9281 | High Similarity | NPC4743 |
0.9281 | High Similarity | NPC147688 |
0.9281 | High Similarity | NPC64908 |
0.9281 | High Similarity | NPC3188 |
0.9281 | High Similarity | NPC213322 |
0.9281 | High Similarity | NPC103362 |
0.9281 | High Similarity | NPC205006 |
0.9281 | High Similarity | NPC156590 |
0.9281 | High Similarity | NPC118840 |
0.9281 | High Similarity | NPC312391 |
0.9275 | High Similarity | NPC140890 |
0.9275 | High Similarity | NPC261234 |
0.927 | High Similarity | NPC294409 |
0.927 | High Similarity | NPC243083 |
0.927 | High Similarity | NPC287246 |
0.927 | High Similarity | NPC7013 |
0.927 | High Similarity | NPC254841 |
0.927 | High Similarity | NPC181124 |
0.927 | High Similarity | NPC116632 |
0.927 | High Similarity | NPC79943 |
0.927 | High Similarity | NPC303644 |
0.927 | High Similarity | NPC209560 |
0.927 | High Similarity | NPC12296 |
0.927 | High Similarity | NPC296490 |
0.927 | High Similarity | NPC32441 |
0.927 | High Similarity | NPC162680 |
0.927 | High Similarity | NPC295261 |
0.927 | High Similarity | NPC13768 |
0.927 | High Similarity | NPC107586 |
0.9265 | High Similarity | NPC9985 |
0.9265 | High Similarity | NPC239495 |
0.9259 | High Similarity | NPC242294 |
0.9259 | High Similarity | NPC144051 |
0.9259 | High Similarity | NPC82225 |
0.9259 | High Similarity | NPC175098 |
0.9259 | High Similarity | NPC56031 |
0.9259 | High Similarity | NPC18877 |
0.9259 | High Similarity | NPC263670 |
0.9259 | High Similarity | NPC192304 |
0.9259 | High Similarity | NPC188646 |
0.9259 | High Similarity | NPC139813 |
0.9259 | High Similarity | NPC294593 |
0.9259 | High Similarity | NPC337373 |
0.9259 | High Similarity | NPC159623 |
0.9259 | High Similarity | NPC28753 |
0.9259 | High Similarity | NPC312318 |
0.9259 | High Similarity | NPC204960 |
0.9259 | High Similarity | NPC223457 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC241838 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.9638 | High Similarity | NPD4378 | Clinical (unspecified phase) |
0.927 | High Similarity | NPD1550 | Clinical (unspecified phase) |
0.927 | High Similarity | NPD1552 | Clinical (unspecified phase) |
0.9203 | High Similarity | NPD1549 | Phase 2 |
0.9155 | High Similarity | NPD1512 | Approved |
0.9124 | High Similarity | NPD1510 | Phase 2 |
0.9111 | High Similarity | NPD1240 | Approved |
0.9014 | High Similarity | NPD1511 | Approved |
0.8978 | High Similarity | NPD1607 | Approved |
0.8951 | High Similarity | NPD7410 | Clinical (unspecified phase) |
0.8921 | High Similarity | NPD2796 | Approved |
0.8881 | High Similarity | NPD6799 | Approved |
0.8851 | High Similarity | NPD2801 | Approved |
0.8784 | High Similarity | NPD1934 | Approved |
0.8725 | High Similarity | NPD2393 | Clinical (unspecified phase) |
0.8675 | High Similarity | NPD7075 | Discontinued |
0.8667 | High Similarity | NPD3817 | Phase 2 |
0.8658 | High Similarity | NPD6801 | Discontinued |
0.8649 | High Similarity | NPD4380 | Phase 2 |
0.8609 | High Similarity | NPD3882 | Suspended |
0.86 | High Similarity | NPD7096 | Clinical (unspecified phase) |
0.8591 | High Similarity | NPD7411 | Suspended |
0.8553 | High Similarity | NPD4381 | Clinical (unspecified phase) |
0.8543 | High Similarity | NPD8443 | Clinical (unspecified phase) |
0.8542 | High Similarity | NPD3750 | Approved |
0.8531 | High Similarity | NPD970 | Clinical (unspecified phase) |
0.8523 | High Similarity | NPD6599 | Discontinued |
0.8462 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.8462 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.8462 | Intermediate Similarity | NPD6166 | Phase 2 |
0.8446 | Intermediate Similarity | NPD5403 | Approved |
0.8435 | Intermediate Similarity | NPD5401 | Approved |
0.8418 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.8417 | Intermediate Similarity | NPD6859 | Clinical (unspecified phase) |
0.8392 | Intermediate Similarity | NPD1551 | Phase 2 |
0.8355 | Intermediate Similarity | NPD7819 | Suspended |
0.8345 | Intermediate Similarity | NPD2800 | Approved |
0.8313 | Intermediate Similarity | NPD6797 | Phase 2 |
0.8261 | Intermediate Similarity | NPD7251 | Discontinued |
0.8219 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.821 | Intermediate Similarity | NPD7808 | Phase 3 |
0.8194 | Intermediate Similarity | NPD3749 | Approved |
0.8194 | Intermediate Similarity | NPD3748 | Approved |
0.8188 | Intermediate Similarity | NPD1203 | Approved |
0.8187 | Intermediate Similarity | NPD7054 | Approved |
0.8182 | Intermediate Similarity | NPD5402 | Approved |
0.8163 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.8153 | Intermediate Similarity | NPD6959 | Discontinued |
0.8137 | Intermediate Similarity | NPD7472 | Approved |
0.8134 | Intermediate Similarity | NPD1548 | Phase 1 |
0.8129 | Intermediate Similarity | NPD7768 | Phase 2 |
0.8125 | Intermediate Similarity | NPD3818 | Discontinued |
0.8113 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.8098 | Intermediate Similarity | NPD4338 | Clinical (unspecified phase) |
0.8095 | Intermediate Similarity | NPD1243 | Approved |
0.8082 | Intermediate Similarity | NPD2344 | Approved |
0.8079 | Intermediate Similarity | NPD920 | Approved |
0.8056 | Intermediate Similarity | NPD6651 | Approved |
0.8029 | Intermediate Similarity | NPD422 | Phase 1 |
0.8028 | Intermediate Similarity | NPD2313 | Discontinued |
0.8025 | Intermediate Similarity | NPD7074 | Phase 3 |
0.8014 | Intermediate Similarity | NPD2935 | Discontinued |
0.7971 | Intermediate Similarity | NPD9717 | Approved |
0.7947 | Intermediate Similarity | NPD642 | Clinical (unspecified phase) |
0.7933 | Intermediate Similarity | NPD643 | Clinical (unspecified phase) |
0.7902 | Intermediate Similarity | NPD3268 | Approved |
0.7899 | Intermediate Similarity | NPD1547 | Clinical (unspecified phase) |
0.7898 | Intermediate Similarity | NPD4868 | Clinical (unspecified phase) |
0.7887 | Intermediate Similarity | NPD6832 | Phase 2 |
0.7879 | Intermediate Similarity | NPD4419 | Clinical (unspecified phase) |
0.7875 | Intermediate Similarity | NPD6232 | Discontinued |
0.7867 | Intermediate Similarity | NPD2309 | Approved |
0.7862 | Intermediate Similarity | NPD5494 | Approved |
0.7857 | Intermediate Similarity | NPD3225 | Approved |
0.7853 | Intermediate Similarity | NPD7286 | Phase 2 |
0.784 | Intermediate Similarity | NPD7473 | Discontinued |
0.7829 | Intermediate Similarity | NPD2533 | Approved |
0.7829 | Intermediate Similarity | NPD2532 | Approved |
0.7829 | Intermediate Similarity | NPD2534 | Approved |
0.7823 | Intermediate Similarity | NPD2799 | Discontinued |
0.7823 | Intermediate Similarity | NPD7033 | Discontinued |
0.7812 | Intermediate Similarity | NPD1247 | Approved |
0.7801 | Intermediate Similarity | NPD2797 | Approved |
0.7799 | Intermediate Similarity | NPD919 | Approved |
0.7793 | Intermediate Similarity | NPD943 | Approved |
0.777 | Intermediate Similarity | NPD1610 | Phase 2 |
0.777 | Intermediate Similarity | NPD6099 | Approved |
0.777 | Intermediate Similarity | NPD6100 | Approved |
0.7762 | Intermediate Similarity | NPD4908 | Phase 1 |
0.7758 | Intermediate Similarity | NPD5953 | Discontinued |
0.7746 | Intermediate Similarity | NPD2798 | Approved |
0.7742 | Intermediate Similarity | NPD3226 | Approved |
0.7733 | Intermediate Similarity | NPD2654 | Approved |
0.7716 | Intermediate Similarity | NPD3926 | Phase 2 |
0.7711 | Intermediate Similarity | NPD6559 | Discontinued |
0.7703 | Intermediate Similarity | NPD4308 | Phase 3 |
0.7703 | Intermediate Similarity | NPD1509 | Clinical (unspecified phase) |
0.7682 | Intermediate Similarity | NPD4628 | Phase 3 |
0.7676 | Intermediate Similarity | NPD3266 | Approved |
0.7676 | Intermediate Similarity | NPD3267 | Approved |
0.7655 | Intermediate Similarity | NPD4907 | Clinical (unspecified phase) |
0.7651 | Intermediate Similarity | NPD7993 | Clinical (unspecified phase) |
0.7619 | Intermediate Similarity | NPD1933 | Approved |
0.7619 | Intermediate Similarity | NPD1899 | Clinical (unspecified phase) |
0.7609 | Intermediate Similarity | NPD9545 | Approved |
0.76 | Intermediate Similarity | NPD2346 | Discontinued |
0.7591 | Intermediate Similarity | NPD9493 | Approved |
0.7584 | Intermediate Similarity | NPD651 | Clinical (unspecified phase) |
0.7547 | Intermediate Similarity | NPD1465 | Phase 2 |
0.7543 | Intermediate Similarity | NPD8090 | Clinical (unspecified phase) |
0.7534 | Intermediate Similarity | NPD1296 | Phase 2 |
0.7534 | Intermediate Similarity | NPD6798 | Discontinued |
0.7532 | Intermediate Similarity | NPD7390 | Discontinued |
0.753 | Intermediate Similarity | NPD5844 | Phase 1 |
0.7529 | Intermediate Similarity | NPD4360 | Phase 2 |
0.7529 | Intermediate Similarity | NPD4363 | Phase 3 |
0.7517 | Intermediate Similarity | NPD1529 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD1019 | Discontinued |
0.75 | Intermediate Similarity | NPD447 | Suspended |
0.75 | Intermediate Similarity | NPD1241 | Discontinued |
0.75 | Intermediate Similarity | NPD4288 | Approved |
0.75 | Intermediate Similarity | NPD230 | Phase 1 |
0.7483 | Intermediate Similarity | NPD6233 | Phase 2 |
0.747 | Intermediate Similarity | NPD3751 | Discontinued |
0.7465 | Intermediate Similarity | NPD1608 | Approved |
0.7465 | Intermediate Similarity | NPD1481 | Phase 2 |
0.7465 | Intermediate Similarity | NPD3972 | Approved |
0.7455 | Intermediate Similarity | NPD7784 | Clinical (unspecified phase) |
0.7451 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7448 | Intermediate Similarity | NPD1530 | Clinical (unspecified phase) |
0.7432 | Intermediate Similarity | NPD1613 | Approved |
0.7432 | Intermediate Similarity | NPD4307 | Phase 2 |
0.7432 | Intermediate Similarity | NPD1612 | Clinical (unspecified phase) |
0.7421 | Intermediate Similarity | NPD7615 | Clinical (unspecified phase) |
0.7415 | Intermediate Similarity | NPD411 | Approved |
0.7403 | Intermediate Similarity | NPD2354 | Approved |
0.7394 | Intermediate Similarity | NPD1535 | Discovery |
0.7389 | Intermediate Similarity | NPD6980 | Clinical (unspecified phase) |
0.7386 | Intermediate Similarity | NPD4362 | Clinical (unspecified phase) |
0.7386 | Intermediate Similarity | NPD4361 | Phase 2 |
0.7383 | Intermediate Similarity | NPD5123 | Clinical (unspecified phase) |
0.7383 | Intermediate Similarity | NPD5124 | Phase 1 |
0.7368 | Intermediate Similarity | NPD1471 | Phase 3 |
0.7349 | Intermediate Similarity | NPD2403 | Approved |
0.7333 | Intermediate Similarity | NPD3787 | Discontinued |
0.7297 | Intermediate Similarity | NPD3764 | Approved |
0.7284 | Intermediate Similarity | NPD2296 | Approved |
0.7279 | Intermediate Similarity | NPD1008 | Clinical (unspecified phase) |
0.7278 | Intermediate Similarity | NPD1729 | Discontinued |
0.7273 | Intermediate Similarity | NPD1201 | Approved |
0.7273 | Intermediate Similarity | NPD1652 | Phase 2 |
0.7267 | Intermediate Similarity | NPD6355 | Discontinued |
0.7267 | Intermediate Similarity | NPD6844 | Discontinued |
0.7261 | Intermediate Similarity | NPD7004 | Clinical (unspecified phase) |
0.7255 | Intermediate Similarity | NPD2355 | Clinical (unspecified phase) |
0.7255 | Intermediate Similarity | NPD2353 | Approved |
0.7254 | Intermediate Similarity | NPD17 | Approved |
0.7234 | Intermediate Similarity | NPD1894 | Discontinued |
0.723 | Intermediate Similarity | NPD4625 | Phase 3 |
0.7229 | Intermediate Similarity | NPD5710 | Approved |
0.7229 | Intermediate Similarity | NPD5711 | Approved |
0.7216 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.72 | Intermediate Similarity | NPD4287 | Approved |
0.7197 | Intermediate Similarity | NPD6143 | Clinical (unspecified phase) |
0.7193 | Intermediate Similarity | NPD6104 | Discontinued |
0.7192 | Intermediate Similarity | NPD1470 | Approved |
0.7186 | Intermediate Similarity | NPD7184 | Clinical (unspecified phase) |
0.7179 | Intermediate Similarity | NPD3887 | Approved |
0.7172 | Intermediate Similarity | NPD4749 | Approved |
0.7152 | Intermediate Similarity | NPD4340 | Discontinued |
0.7143 | Intermediate Similarity | NPD2343 | Clinical (unspecified phase) |
0.7134 | Intermediate Similarity | NPD7440 | Discontinued |
0.7133 | Intermediate Similarity | NPD4062 | Phase 3 |
0.7126 | Intermediate Similarity | NPD7229 | Phase 3 |
0.7123 | Intermediate Similarity | NPD1876 | Approved |
0.7114 | Intermediate Similarity | NPD3027 | Phase 3 |
0.7107 | Intermediate Similarity | NPD5049 | Phase 3 |
0.7099 | Intermediate Similarity | NPD5890 | Approved |
0.7099 | Intermediate Similarity | NPD5889 | Approved |
0.7095 | Intermediate Similarity | NPD2861 | Phase 2 |
0.7091 | Intermediate Similarity | NPD6971 | Discontinued |
0.7089 | Intermediate Similarity | NPD7212 | Phase 2 |
0.7089 | Intermediate Similarity | NPD7213 | Phase 3 |
0.7086 | Intermediate Similarity | NPD3142 | Approved |
0.7086 | Intermediate Similarity | NPD3140 | Approved |
0.7086 | Intermediate Similarity | NPD8434 | Phase 2 |
0.7081 | Intermediate Similarity | NPD7584 | Approved |
0.7081 | Intermediate Similarity | NPD7458 | Discontinued |
0.7075 | Intermediate Similarity | NPD1164 | Approved |
0.707 | Intermediate Similarity | NPD6190 | Approved |
0.7066 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7059 | Intermediate Similarity | NPD5940 | Clinical (unspecified phase) |
0.7044 | Intermediate Similarity | NPD4661 | Approved |
0.7044 | Intermediate Similarity | NPD4662 | Approved |
0.7044 | Intermediate Similarity | NPD7447 | Phase 1 |
0.7037 | Intermediate Similarity | NPD6585 | Discontinued |
0.7033 | Intermediate Similarity | NPD7501 | Clinical (unspecified phase) |
0.7007 | Intermediate Similarity | NPD74 | Approved |
0.7007 | Intermediate Similarity | NPD9266 | Approved |
0.7006 | Intermediate Similarity | NPD7003 | Approved |
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.