Molecular Weight:   | 256.11 |
Volume:   | 276.095 |
LogP:   | 3.831 |
LogD:   | 3.798 |
LogS:   | -4.012 |
# Rotatable Bonds:   | 4 |
TPSA:   | 38.69 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 3 |
QED Drug-Likeness Score:   | 0.85 |
Synthetic Accessibility Score:   | 1.887 |
Fsp3:   | 0.125 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Rejected |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 0 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -4.929 |
MDCK Permeability:   | 1.558466647111345e-05 |
Pgp-inhibitor:   | 0.947 |
Pgp-substrate:   | 0.004 |
Human Intestinal Absorption (HIA):   | 0.01 |
20% Bioavailability (F20%):   | 0.012 |
30% Bioavailability (F30%):   | 0.018 |
Blood-Brain-Barrier Penetration (BBB):   | 0.247 |
Plasma Protein Binding (PPB):   | 99.19316864013672% |
Volume Distribution (VD):   | 1.051 |
Pgp-substrate:   | 1.086905837059021% |
CYP1A2-inhibitor:   | 0.973 |
CYP1A2-substrate:   | 0.944 |
CYP2C19-inhibitor:   | 0.808 |
CYP2C19-substrate:   | 0.608 |
CYP2C9-inhibitor:   | 0.264 |
CYP2C9-substrate:   | 0.954 |
CYP2D6-inhibitor:   | 0.606 |
CYP2D6-substrate:   | 0.949 |
CYP3A4-inhibitor:   | 0.865 |
CYP3A4-substrate:   | 0.484 |
Clearance (CL):   | 11.281 |
Half-life (T1/2):   | 0.864 |
hERG Blockers:   | 0.443 |
Human Hepatotoxicity (H-HT):   | 0.667 |
Drug-inuced Liver Injury (DILI):   | 0.304 |
AMES Toxicity:   | 0.608 |
Rat Oral Acute Toxicity:   | 0.028 |
Maximum Recommended Daily Dose:   | 0.34 |
Skin Sensitization:   | 0.96 |
Carcinogencity:   | 0.185 |
Eye Corrosion:   | 0.02 |
Eye Irritation:   | 0.961 |
Respiratory Toxicity:   | 0.624 |
Natural Product ID:   | NPC180508 |
Common Name*:   | Pterostilbene |
IUPAC Name:   | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol |
Synonyms:   | 4-(3,5-Dimethoxystyryl)Phenol; Pterostilben; Pterostilbene |
Standard InCHIKey:   | VLEUZFDZJKSGMX-ONEGZZNKSA-N |
Standard InCHI:   | InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ |
SMILES:   | COc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL83527 |
PubChem CID:   |
5281727 |
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 |
---|---|---|---|---|---|---|---|---|
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | Nigeria(latitude 80°N and longitude 4°E) | 2005; 2006 | DOI[10.1002/ejlt.201000080] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1007/s11306-010-0259-y] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1007/s11306-014-0638-x] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1007/s11746-997-0093-1] |
NPO14685 | Swertia franchetiana | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.bse.2004.02.008] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.phytol.2008.07.007] |
NPO20312 | Pterocarpus marsupium | Species | Fabaceae | Eukaryota | n.a. | bark | n.a. | DOI[10.1021/np50031a029] |
NPO20312 | Pterocarpus marsupium | Species | Fabaceae | Eukaryota | n.a. | heartwood | n.a. | DOI[10.1021/np50031a029] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Seeds | Plovdiv, Plovdiv region in South Bulgaria | DOI[10.1051/CTV/20163101031] | |
NPO947 | Rauvolfia vomitoria | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1080/01496395.2011.635623] |
NPO1086 | Botrytis cinerea | Species | Sclerotiniaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10691704] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11170689] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[11312782] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[11312782] |
NPO15659 | Zanthoxylum tetraspermum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11324918] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11408943] |
NPO12714 | Dracaena cochinchinensis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12016928] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[12105962] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[14600382] |
NPO30784 | Vaccinium | Genus | Ericaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[15264904] |
NPO15063 | Leathesia nana | Species | Chordariaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15497936] |
NPO9516 | Gnetum latifolium | Species | Gnetaceae | Eukaryota | stem bark | Veikabu bridge along the Hiritano highway 40 km from Port Moresby, Papua New Guinea | 1998-FEB |
PMID[16038553] |
NPO1086 | Botrytis cinerea | Species | Sclerotiniaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16378371] |
NPO6160 | Vaccinium oxycoccos | Species | Ericaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[16417304] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | n.a. | root | n.a. |
PMID[16564530] |
NPO1086 | Botrytis cinerea | Species | Sclerotiniaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16643065] |
NPO12714 | Dracaena cochinchinensis | Species | Asparagaceae | Eukaryota | stems | Ningming County, Guangxi autonomous region, China | 2006-Jan |
PMID[17883259] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | Esuela Tecnica Superior de Ingenieros Agrónomos de Albacete | 2007 |
PMID[19256538] |
NPO20812 | Soymida febrifuga | Species | Meliaceae | Eukaryota | n.a. | Myanmar | n.a. |
PMID[19689125] |
NPO11917 | Asterospicularia laurae | Species | Xeniidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19863101] |
NPO17094 | Sinularia depressa | Species | Alcyoniidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20121250] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20826702] |
NPO4181 | Pseudoalteromonas luteoviolacea | Species | Pseudoalteromonadaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[20973551] |
NPO1087 | Pterocarpus santalinus | Species | Fabaceae | Eukaryota | Heartwood | India | n.a. |
PMID[21488654] |
NPO1087 | Pterocarpus santalinus | Species | Fabaceae | Eukaryota | n.a. | heartwood | n.a. |
PMID[21488654] |
NPO12714 | Dracaena cochinchinensis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21661731] |
NPO1087 | Pterocarpus santalinus | Species | Fabaceae | Eukaryota | heartwood | n.a. | n.a. |
PMID[21784631] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21800857] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22537213] |
NPO17094 | Sinularia depressa | Species | Alcyoniidae | Eukaryota | n.a. | Hainan soft coral | n.a. |
PMID[23357636] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23759170] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Stalks | n.a. | n.a. |
PMID[24521157] |
NPO13847 | Streptomyces avermectinius | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[25611131] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | Twigs | n.a. | n.a. |
PMID[25894905] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | Twigs | n.a. | n.a. |
PMID[28358502] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[29359942] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Seeds | Benedictine Pannonhalma Archabbey, Hungary |
PMID[29803478] |
|
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31433178] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[31944695] |
NPO1086 | Botrytis cinerea | Species | Sclerotiniaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32705864] |
NPO13847 | Streptomyces avermectinius | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[464561] |
NPO14685 | Swertia franchetiana | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[7513747] |
NPO14685 | Swertia franchetiana | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[7561895] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | Roots; Tubers | n.a. | n.a. |
PMID[7714535] |
NPO20312 | Pterocarpus marsupium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8377021] |
NPO20312 | Pterocarpus marsupium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[9214733] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Stem | n.a. | n.a. | Database[FooDB] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO6160 | Vaccinium oxycoccos | Species | Ericaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Roots | n.a. | Database[FooDB] | |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Fruits | n.a. | Database[FooDB] | |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Leaf Essent. Oil | n.a. | n.a. | Database[FooDB] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Root Essent. Oil | n.a. | n.a. | Database[FooDB] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO20312 | Pterocarpus marsupium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14685 | Swertia franchetiana | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1087 | Pterocarpus santalinus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO30125 | 0topterygium forbesii | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[HerDing] |
NPO947 | Rauvolfia vomitoria | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12714 | Dracaena cochinchinensis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13167 | Scutellaria amoena | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[MetaboLights] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO6160 | Vaccinium oxycoccos | Species | Ericaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO947 | Rauvolfia vomitoria | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14685 | Swertia franchetiana | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9516 | Gnetum latifolium | Species | Gnetaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20312 | Pterocarpus marsupium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16857 | Hypericum laricifolium | Species | Hypericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13167 | Scutellaria amoena | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1087 | Pterocarpus santalinus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12714 | Dracaena cochinchinensis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11641 | Solanum laxum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12714 | Dracaena cochinchinensis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1087 | Pterocarpus santalinus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO30125 | 0topterygium forbesii | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO13167 | Scutellaria amoena | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO4181 | Pseudoalteromonas luteoviolacea | Species | Pseudoalteromonadaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16493 | Nasutitermes ephratae | Species | Termitoidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1087 | Pterocarpus santalinus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17544 | Acacia adunca | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17400 | Peltostigma guatemalense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11641 | Solanum laxum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7562 | Premna odorata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14685 | Swertia franchetiana | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11538 | Salvia syriaca | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15659 | Zanthoxylum tetraspermum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8506 | Cotyledon secunda | Species | Crassulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17633 | Viguiera incana | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4325 | Blastochloris viridis | Species | Hyphomicrobiaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2507 | Rumex maritimus | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11917 | Asterospicularia laurae | Species | Xeniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10989 | Annona cornifolia | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16369 | Lepisorus ussuriensis | Species | Polypodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17865 | Amathia pinnata | Species | Vesiculariidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1086 | Botrytis cinerea | Species | Sclerotiniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10417 | Ipomoea digitata | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13407 | Goniothalamus malayanus | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17169 | Adiantum lunulatum | Species | Pteridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12703 | Eucalyptus melliodora | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17094 | Sinularia depressa | Species | Alcyoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6160 | Vaccinium oxycoccos | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17786 | Marrubium anisodon | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13847 | Streptomyces avermectinius | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21724 | Sabina sargentii | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18022 | Naucleopsis ternstroemiiflora | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17702 | Astragalus sempervirens | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17942 | Wikstroemia retusa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13167 | Scutellaria amoena | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15467 | Hedysarum connatum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15552 | Anacystis montana | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO947 | Rauvolfia vomitoria | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20312 | Pterocarpus marsupium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20812 | Soymida febrifuga | Species | Meliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9516 | Gnetum latifolium | Species | Gnetaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14859 | Bishovia boliviensis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15227 | Helipterum roseum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16857 | Hypericum laricifolium | Species | Hypericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17242 | Laurencia spectabilis | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3964 | Calostephane divaricata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16731 | Phoebe pittieri | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17472 | Drechslera avenae | Species | Pleosporaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15803 | Artemisia assoana | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16611 | Alstonia spathulata | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6881 | Caragana aurantiaca | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14395 | Lysimachia mauritiana | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12714 | Dracaena cochinchinensis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16089 | Dumortiera hirsuta | Species | Dumortieraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15063 | Leathesia nana | Species | Chordariaceae | 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 |
---|---|---|---|---|---|---|---|---|
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 35000.0 | nM | PMID[493080] |
NPT116 | Cell Line | HL-60 | Homo sapiens | AC50 | = | 70000.0 | nM | PMID[493080] |
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 4.87 | ug ml-1 | PMID[493081] |
NPT1081 | Cell Line | BXPC-3 | Homo sapiens | GI50 | = | 6.5 | ug.mL-1 | PMID[493081] |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | = | 2.3 | ug.mL-1 | PMID[493081] |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | = | 4.3 | ug.mL-1 | PMID[493081] |
NPT575 | Cell Line | KM-20L2 | Homo sapiens | GI50 | = | 3.4 | ug.mL-1 | PMID[493081] |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | = | 2.7 | ug.mL-1 | PMID[493081] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 10000.0 | nM | PMID[493082] |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 35000.0 | nM | PMID[493083] |
NPT116 | Cell Line | HL-60 | Homo sapiens | AC50 | = | 75000.0 | nM | PMID[493083] |
NPT3960 | Individual Protein | Bcr/Abl fusion protein | Homo sapiens | IC50 | = | 10000.0 | nM | PMID[493083] |
NPT3960 | Individual Protein | Bcr/Abl fusion protein | Homo sapiens | AC50 | = | 45000.0 | nM | PMID[493083] |
NPT30 | Individual Protein | Cyclooxygenase-1 | Homo sapiens | IC50 | = | 700.0 | nM | PMID[493086] |
NPT31 | Individual Protein | Cyclooxygenase-2 | Homo sapiens | IC50 | = | 820.0 | nM | PMID[493086] |
NPT453 | Cell Line | HT-1080 | Homo sapiens | IC50 | = | 93400.0 | nM | PMID[493087] |
NPT461 | Cell Line | PANC-1 | Homo sapiens | PC50 | = | 44.4 | uM | PMID[493087] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 71700.0 | nM | PMID[493087] |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 9430.0 | nM | PMID[493087] |
NPT441 | Individual Protein | Cytochrome P450 19A1 | Homo sapiens | Inhibition | = | 23.52 | % | PMID[493089] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 23800.0 | nM | PMID[493090] |
NPT492 | Cell Line | Caco-2 | Homo sapiens | IC50 | = | 14460.0 | nM | PMID[493090] |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 25118.9 | nM | PMID[493091] |
NPT537 | Individual Protein | Ras-related protein Rab-9A | Homo sapiens | Potency | = | 3162.3 | nM | PMID[493091] |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 15848.9 | nM | PMID[493091] |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 11220.2 | nM | PMID[493091] |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 3981.1 | nM | PMID[493091] |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 56234.1 | nM | PMID[493091] |
NPT282 | Individual Protein | MAP kinase ERK2 | Homo sapiens | Potency | = | 39810.7 | nM | PMID[493091] |
NPT538 | Individual Protein | Niemann-Pick C1 protein | Homo sapiens | Potency | = | 2511.9 | nM | PMID[493091] |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 8912.5 | nM | PMID[493091] |
NPT60 | Individual Protein | Lysosomal alpha-glucosidase | Homo sapiens | Potency | = | 11220.2 | nM | PMID[493091] |
NPT2629 | Individual Protein | FAD-linked sulfhydryl oxidase ALR | Homo sapiens | AC50 | = | 778.0 | nM | PMID[493092] |
NPT886 | Cell Line | NIH3T3 | Mus musculus | IC50 | = | 12200.0 | nM | PMID[493093] |
NPT65 | Cell Line | HepG2 | Homo sapiens | Potency | n.a. | 25118.9 | nM | PMID[493092] |
NPT484 | Individual Protein | Luciferin 4-monooxygenase | Photinus pyralis | Potency | n.a. | 13459.1 | nM | PMID[493091] |
NPT886 | Cell Line | NIH3T3 | Mus musculus | IC50 | = | 12190.0 | nM | PMID[493094] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 14110.0 | nM | PMID[493094] |
NPT579 | Cell Line | DLD-1 | Homo sapiens | IC50 | = | 16450.0 | nM | PMID[493094] |
NPT179 | Cell Line | A2780 | Homo sapiens | IC50 | = | 15560.0 | nM | PMID[493094] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 15860.0 | nM | PMID[493094] |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | n.a. | 115.8 | nM | PMID[493092] |
NPT101 | Individual Protein | Glucagon-like peptide 1 receptor | Homo sapiens | Potency | n.a. | 5011.9 | nM | PMID[493092] |
NPT157 | Individual Protein | Breast cancer type 1 susceptibility protein | Homo sapiens | Potency | n.a. | 17782.8 | nM | PMID[493092] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 18356.4 | nM | PMID[493092] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 25929.0 | nM | PMID[493092] |
NPT160 | Individual Protein | TAR DNA-binding protein 43 | Homo sapiens | Potency | n.a. | 28183.8 | nM | PMID[493092] |
NPT366 | Individual Protein | Quinone reductase 2 | Homo sapiens | IC50 | = | 5100.0 | nM | PMID[493099] |
NPT2656 | Individual Protein | Ras-related C3 botulinum toxin substrate 1 | Homo sapiens | Inhibition | = | 27.0 | % | PMID[493101] |
NPT2656 | Individual Protein | Ras-related C3 botulinum toxin substrate 1 | Homo sapiens | Inhibition | = | 22.0 | % | PMID[493101] |
NPT2656 | Individual Protein | Ras-related C3 botulinum toxin substrate 1 | Homo sapiens | Inhibition | = | 14.0 | % | PMID[493101] |
NPT1654 | Individual Protein | Urokinase-type plasminogen activator | Homo sapiens | Activity | = | 61.0 | % | PMID[493101] |
NPT1654 | Individual Protein | Urokinase-type plasminogen activator | Homo sapiens | Activity | = | 25.0 | % | PMID[493101] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Inhibition | = | 38.0 | % | PMID[493101] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Inhibition | = | 29.0 | % | PMID[493101] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Inhibition | = | 20.0 | % | PMID[493101] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Inhibition | = | 76.0 | % | PMID[493101] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Inhibition | = | 59.0 | % | PMID[493101] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Inhibition | = | 25.0 | % | PMID[493101] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Activity | = | 40.0 | % | PMID[493101] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Activity | = | 6.0 | % | PMID[493101] |
NPT1604 | Individual Protein | Cytochrome P450 1B1 | Homo sapiens | IC50 | = | 1400.0 | nM | PMID[493102] |
NPT1604 | Individual Protein | Cytochrome P450 1B1 | Homo sapiens | Ki | = | 900.0 | nM | PMID[493103] |
NPT1603 | Individual Protein | Cytochrome P450 1A1 | Homo sapiens | Ki | = | 570.0 | nM | PMID[493103] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | > | 60000.0 | nM | PMID[493105] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | > | 60000.0 | nM | PMID[493105] |
NPT472 | Individual Protein | Vanilloid receptor | Homo sapiens | IC50 | > | 10000.0 | nM | PMID[493107] |
NPT472 | Individual Protein | Vanilloid receptor | Homo sapiens | Efficacy | < | 10.0 | % | PMID[493107] |
NPT1534 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Rattus norvegicus | Efficacy | = | 71.1 | % | PMID[493107] |
NPT1534 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Rattus norvegicus | EC50 | = | 3600.0 | nM | PMID[493107] |
NPT1534 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Rattus norvegicus | IC50 | = | 7500.0 | nM | PMID[493107] |
NPT1651 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Mus musculus | FC | = | 2.0 | n.a. | PMID[493109] |
NPT1603 | Individual Protein | Cytochrome P450 1A1 | Homo sapiens | Ki | = | 570.0 | nM | PMID[493112] |
NPT1604 | Individual Protein | Cytochrome P450 1B1 | Homo sapiens | Ki | = | 910.0 | nM | PMID[493112] |
NPT519 | Cell Line | SH-SY5Y | Homo sapiens | Survival | = | 32.66 | % | PMID[493113] |
NPT519 | Cell Line | SH-SY5Y | Homo sapiens | Survival | = | -0.58 | % | PMID[493113] |
NPT519 | Cell Line | SH-SY5Y | Homo sapiens | Survival | = | 51.37 | % | PMID[493113] |
NPT1886 | Cell Line | J774 | Mus musculus | IC50 | = | 16700.0 | nM | PMID[493115] |
NPT1886 | Cell Line | J774 | Mus musculus | IC50 | = | 8700.0 | nM | PMID[493115] |
NPT1886 | Cell Line | J774 | Mus musculus | IC50 | = | 10500.0 | nM | PMID[493115] |
NPT1535 | Cell Line | U-87 MG | Homo sapiens | Activity | = | 103.0 | % | PMID[493116] |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | Activity | = | 85.0 | % | PMID[493116] |
NPT461 | Cell Line | PANC-1 | Homo sapiens | Activity | = | 94.0 | % | PMID[493116] |
NPT1081 | Cell Line | BXPC-3 | Homo sapiens | Activity | = | 97.0 | % | PMID[493116] |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | Activity | = | 83.0 | % | PMID[493116] |
NPT81 | Cell Line | A549 | Homo sapiens | Activity | = | 81.0 | % | PMID[493116] |
NPT139 | Cell Line | HT-29 | Homo sapiens | Activity | = | 96.0 | % | PMID[493116] |
NPT396 | Cell Line | T47D | Homo sapiens | Activity | = | 91.0 | % | PMID[493116] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Activity | = | 90.0 | % | PMID[493116] |
NPT1535 | Cell Line | U-87 MG | Homo sapiens | IC50 | = | 34000.0 | nM | PMID[493116] |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | IC50 | = | 17000.0 | nM | PMID[493116] |
NPT461 | Cell Line | PANC-1 | Homo sapiens | IC50 | = | 50000.0 | nM | PMID[493116] |
NPT1081 | Cell Line | BXPC-3 | Homo sapiens | IC50 | = | 31000.0 | nM | PMID[493116] |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | IC50 | = | 17000.0 | nM | PMID[493116] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 26000.0 | nM | PMID[493116] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 28000.0 | nM | PMID[493116] |
NPT396 | Cell Line | T47D | Homo sapiens | IC50 | = | 35000.0 | nM | PMID[493116] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 63000.0 | nM | PMID[493116] |
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 25.0 | % | PMID[493116] |
NPT139 | Cell Line | HT-29 | Homo sapiens | Activity | = | 10.0 | % | PMID[493116] |
NPT81 | Cell Line | A549 | Homo sapiens | Activity | = | 40.0 | % | PMID[493116] |
NPT1083 | Cell Line | A-375 | Homo sapiens | Activity | = | 30.0 | % | PMID[493116] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 30000.0 | nM | PMID[493118] |
NPT1635 | Cell Line | H9c2 | Rattus norvegicus | Activity | = | 25.0 | % | PMID[493119] |
NPT570 | Individual Protein | Arachidonate 5-lipoxygenase | Homo sapiens | IC50 | = | 3910.0 | nM | PMID[493119] |
NPT570 | Individual Protein | Arachidonate 5-lipoxygenase | Homo sapiens | IC50 | = | 530.0 | nM | PMID[493119] |
NPT570 | Individual Protein | Arachidonate 5-lipoxygenase | Homo sapiens | IC50 | = | 9320.0 | nM | PMID[493120] |
NPT2 | Others | Unspecified | GI50 | = | 2.7 | ug.mL-1 | PMID[493081] | |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | IC50 | = | 42000.0 | nM | PMID[493083] |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | AC50 | = | 85000.0 | nM | PMID[493083] |
NPT2 | Others | Unspecified | Inhibition | = | 35.0 | % | PMID[493084] | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 20.0 | % | PMID[493085] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 65.0 | % | PMID[493085] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 11.0 | % | PMID[493085] |
NPT2 | Others | Unspecified | IC50 | = | 19500.0 | nM | PMID[493086] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 2960.0 | nM | PMID[493087] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 15900.0 | nM | PMID[493087] |
NPT2 | Others | Unspecified | Inhibition | = | 35.0 | % | PMID[493088] | |
NPT536 | Uncleic Acid | microRNA 21 | Homo sapiens | Potency | = | 2930.9 | nM | PMID[493091] |
NPT2 | Others | Unspecified | Potency | = | 14581.0 | nM | PMID[493091] | |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 15848.9 | nM | PMID[493091] |
NPT2 | Others | Unspecified | Potency | n.a. | 12589.3 | nM | PMID[493091] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 14050.0 | nM | PMID[493094] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 17330.0 | nM | PMID[493094] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 15180.0 | nM | PMID[493094] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 17390.0 | nM | PMID[493094] |
NPT2 | Others | Unspecified | AbsAC40_uM | n.a. | 2.31 | uM | PMID[493092] | |
NPT2 | Others | Unspecified | Potency | n.a. | 12589.3 | nM | PMID[493092] | |
NPT35 | Others | n.a. | LogP | = | 3.15 | n.a. | PMID[493096] | |
NPT953 | Organism | Diplodia seriata | Diplodia seriata | GI | = | 24.0 | % | PMID[493097] |
NPT952 | Organism | Lasiodiplodia theobromae | Lasiodiplodia theobromae | GI | = | 24.0 | % | PMID[493097] |
NPT1318 | Organism | Diplodia mutila | Diplodia mutila | GI | = | 24.0 | % | PMID[493097] |
NPT1319 | Organism | Neofusicoccum luteum | Neofusicoccum luteum | GI | = | 14.0 | % | PMID[493097] |
NPT1320 | Organism | Neofusicoccum parvum | Neofusicoccum parvum | GI | = | 14.0 | % | PMID[493097] |
NPT950 | Organism | Botryosphaeria dothidea | Botryosphaeria dothidea | GI | = | 14.0 | % | PMID[493097] |
NPT1638 | Organism | Eutypa lata | Eutypa lata | IC50 | = | 251000.0 | nM | PMID[493097] |
NPT1320 | Organism | Neofusicoccum parvum | Neofusicoccum parvum | IC50 | = | 250000.0 | nM | PMID[493097] |
NPT953 | Organism | Diplodia seriata | Diplodia seriata | IC50 | = | 163000.0 | nM | PMID[493097] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | INH | = | 13.0 | 10'4L/mol/s | PMID[493098] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | EC50 | = | 1220.0 | nM | PMID[493098] |
NPT587 | Tissue | Liver microsome | Rattus norvegicus | EC50 | = | 355000.0 | nM | PMID[493098] |
NPT2 | Others | Unspecified | Activity | = | 212.4 | % | PMID[493100] | |
NPT1173 | Organism | Candida albicans SC5314 | Candida albicans SC5314 | MIC95 | = | 28.0 | ug ml-1 | PMID[493104] |
NPT2580 | Organism | Candida dubliniensis | Candida dubliniensis | MIC95 | = | 14.0 | ug ml-1 | PMID[493104] |
NPT3676 | Organism | Candida famata | Candida famata | MIC95 | = | 7.0 | ug ml-1 | PMID[493104] |
NPT554 | Organism | Candida glabrata | Candida glabrata | MIC95 | = | 28.0 | ug ml-1 | PMID[493104] |
NPT2578 | Organism | Pichia guilliermondii | Meyerozyma guilliermondii | MIC95 | = | 7.0 | ug ml-1 | PMID[493104] |
NPT3678 | Organism | Candida inconspicua | Candida inconspicua | MIC95 | = | 28.0 | ug ml-1 | PMID[493104] |
NPT3153 | Organism | Kluyveromyces marxianus | Kluyveromyces marxianus | MIC95 | = | 14.0 | ug ml-1 | PMID[493104] |
NPT187 | Organism | Issatchenkia orientalis | Pichia kudriavzevii | MIC95 | = | 28.0 | ug ml-1 | PMID[493104] |
NPT820 | Organism | Clavispora lusitaniae | Clavispora lusitaniae | MIC95 | = | 28.0 | ug ml-1 | PMID[493104] |
NPT3677 | Organism | Pichia norvegensis | Pichia norvegensis | MIC95 | = | 28.0 | ug ml-1 | PMID[493104] |
NPT188 | Organism | Candida parapsilosis | Candida parapsilosis | MIC95 | = | 14.0 | ug ml-1 | PMID[493104] |
NPT186 | Organism | Candida tropicalis | Candida tropicalis | MIC95 | = | 28.0 | ug ml-1 | PMID[493104] |
NPT35 | Others | n.a. | Ratio | = | 4.32 | n.a. | PMID[493108] | |
NPT27 | Others | Unspecified | F | = | 80.0 | % | PMID[493110] | |
NPT20 | Organism | Candida albicans | Candida albicans | MIC80 | = | 32.0 | ug.mL-1 | PMID[493111] |
NPT617 | Organism | Danio rerio | Danio rerio | NOAEL | = | 10.0 | uM | PMID[493114] |
NPT617 | Organism | Danio rerio | Danio rerio | LOAEL | = | 100.0 | uM | PMID[493114] |
NPT617 | Organism | Danio rerio | Danio rerio | LC50 | = | 36000.0 | nM | PMID[493114] |
NPT27 | Others | Unspecified | Cp | < | 1.0 | uM | PMID[493116] | |
NPT21748 | CELL-LINE | LN-229 | Homo sapiens | Activity | = | 98.0 | % | PMID[493116] |
NPT2 | Others | Unspecified | Activity | = | 87.0 | % | PMID[493116] | |
NPT21749 | CELL-LINE | COLO 201 | Homo sapiens | Activity | = | 95.0 | % | PMID[493116] |
NPT21748 | CELL-LINE | LN-229 | Homo sapiens | IC50 | = | 14000.0 | nM | PMID[493116] |
NPT2 | Others | Unspecified | IC50 | = | 17000.0 | nM | PMID[493116] | |
NPT21749 | CELL-LINE | COLO 201 | Homo sapiens | IC50 | = | 29000.0 | nM | PMID[493116] |
NPT27 | Others | Unspecified | Cp | = | 15.0 | uM | PMID[493116] | |
NPT32 | Organism | Mus musculus | Mus musculus | Tmax | = | 0.1667 | hr | PMID[493116] |
NPT32 | Organism | Mus musculus | Mus musculus | Cmax | = | 25000.0 | nM | PMID[493116] |
NPT32 | Organism | Mus musculus | Mus musculus | Tmax | = | 0.08333 | hr | PMID[493116] |
NPT32 | Organism | Mus musculus | Mus musculus | Cmax | = | 67000.0 | nM | PMID[493116] |
NPT35 | Others | n.a. | Activity | = | 0.0 | equiv | PMID[493117] | |
NPT35 | Others | n.a. | Activity | = | 0.47 | equiv | PMID[493117] | |
NPT35 | Others | n.a. | Activity | = | 0.11 | equiv | PMID[493117] | |
NPT35 | Others | n.a. | Activity | = | 0.88 | equiv | PMID[493117] | |
NPT35 | Others | n.a. | Activity | = | 0.42 | equiv | PMID[493117] | |
NPT35 | Others | n.a. | Activity | = | 2.0 | equiv | PMID[493117] | |
NPT35 | Others | n.a. | Ratio | = | 14.9 | n.a. | PMID[493117] | |
NPT35 | Others | n.a. | Ratio | = | 0.0 | n.a. | PMID[493117] | |
NPT35 | Others | n.a. | Ratio | = | 13.0 | n.a. | PMID[493117] | |
NPT35 | Others | n.a. | Ratio | = | 24.8 | n.a. | PMID[493117] | |
NPT35 | Others | n.a. | Ratio | = | 35.6 | n.a. | PMID[493117] | |
NPT35 | Others | n.a. | Ratio | = | 4610.0 | n.a. | PMID[493117] | |
NPT20 | Organism | Candida albicans | Candida albicans | Inhibition | = | 3.65 | % | PMID[493121] |
NPT85 | Organism | Filobasidiella neoformans | Cryptococcus neoformans | Inhibition | = | -0.34 | % | PMID[493121] |
NPT19 | Organism | Escherichia coli | Escherichia coli | Inhibition | = | 1.16 | % | PMID[493121] |
NPT173 | Organism | Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | = | 7.46 | % | PMID[493121] |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | = | 31.46 | % | PMID[493121] |
NPT747 | Organism | Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | = | 28.58 | % | PMID[493121] |
NPT2922 | Organism | Staphylococcus aureus subsp. aureus | Staphylococcus aureus subsp. aureus | Inhibition | = | 13.68 | % | PMID[493121] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | IC50 | > | 20000.0 | nM | PMID[493122] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | IC50 | > | 19952.62 | nM | PMID[493122] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 31000.0 | nM | PMID[493123] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 41.0 | ug.mL-1 | PMID[493124] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MBC | = | 41.0 | ug ml-1 | PMID[493124] |
☑ 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 NPC180508 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 | NPC228287 |
0.9811 | High Similarity | NPC280606 |
0.9725 | High Similarity | NPC474933 |
0.9717 | High Similarity | NPC296920 |
0.9717 | High Similarity | NPC90520 |
0.9633 | High Similarity | NPC141090 |
0.9623 | High Similarity | NPC94045 |
0.9541 | High Similarity | NPC53906 |
0.9528 | High Similarity | NPC82016 |
0.9455 | High Similarity | NPC203113 |
0.945 | High Similarity | NPC22610 |
0.945 | High Similarity | NPC276737 |
0.9381 | High Similarity | NPC102639 |
0.9381 | High Similarity | NPC166759 |
0.9369 | High Similarity | NPC219070 |
0.9369 | High Similarity | NPC15860 |
0.9369 | High Similarity | NPC127894 |
0.9369 | High Similarity | NPC195466 |
0.9369 | High Similarity | NPC33270 |
0.9369 | High Similarity | NPC69261 |
0.9369 | High Similarity | NPC470759 |
0.9364 | High Similarity | NPC464 |
0.9364 | High Similarity | NPC185541 |
0.934 | High Similarity | NPC35543 |
0.9298 | High Similarity | NPC476633 |
0.9292 | High Similarity | NPC474565 |
0.9279 | High Similarity | NPC85292 |
0.9279 | High Similarity | NPC150624 |
0.9279 | High Similarity | NPC114064 |
0.9279 | High Similarity | NPC54507 |
0.9279 | High Similarity | NPC229147 |
0.9252 | High Similarity | NPC245115 |
0.9245 | High Similarity | NPC164576 |
0.9217 | High Similarity | NPC262253 |
0.9217 | High Similarity | NPC473411 |
0.9217 | High Similarity | NPC71579 |
0.9204 | High Similarity | NPC184302 |
0.9204 | High Similarity | NPC226629 |
0.9189 | High Similarity | NPC808 |
0.9189 | High Similarity | NPC167934 |
0.9174 | High Similarity | NPC255068 |
0.9138 | High Similarity | NPC282496 |
0.9138 | High Similarity | NPC233526 |
0.9138 | High Similarity | NPC136319 |
0.9115 | High Similarity | NPC131118 |
0.9115 | High Similarity | NPC190514 |
0.9083 | High Similarity | NPC168657 |
0.9083 | High Similarity | NPC2682 |
0.906 | High Similarity | NPC270030 |
0.9057 | High Similarity | NPC474603 |
0.9057 | High Similarity | NPC12987 |
0.9027 | High Similarity | NPC50521 |
0.9027 | High Similarity | NPC221549 |
0.9027 | High Similarity | NPC244816 |
0.8983 | High Similarity | NPC233410 |
0.8983 | High Similarity | NPC116907 |
0.8983 | High Similarity | NPC234400 |
0.8983 | High Similarity | NPC57490 |
0.8983 | High Similarity | NPC298757 |
0.8983 | High Similarity | NPC203133 |
0.8983 | High Similarity | NPC251855 |
0.8983 | High Similarity | NPC472093 |
0.8983 | High Similarity | NPC117214 |
0.8983 | High Similarity | NPC221077 |
0.8983 | High Similarity | NPC193544 |
0.8983 | High Similarity | NPC265483 |
0.8983 | High Similarity | NPC105031 |
0.8983 | High Similarity | NPC475169 |
0.8983 | High Similarity | NPC82483 |
0.8983 | High Similarity | NPC17943 |
0.8983 | High Similarity | NPC208950 |
0.8983 | High Similarity | NPC113495 |
0.8983 | High Similarity | NPC105925 |
0.8983 | High Similarity | NPC60885 |
0.8983 | High Similarity | NPC299584 |
0.8966 | High Similarity | NPC75713 |
0.8957 | High Similarity | NPC247364 |
0.8957 | High Similarity | NPC10932 |
0.8957 | High Similarity | NPC232084 |
0.8957 | High Similarity | NPC61516 |
0.8938 | High Similarity | NPC123948 |
0.8908 | High Similarity | NPC28730 |
0.8908 | High Similarity | NPC78974 |
0.8908 | High Similarity | NPC170485 |
0.8908 | High Similarity | NPC214406 |
0.8908 | High Similarity | NPC223136 |
0.8908 | High Similarity | NPC18924 |
0.8908 | High Similarity | NPC103823 |
0.8908 | High Similarity | NPC44748 |
0.8899 | High Similarity | NPC75440 |
0.8889 | High Similarity | NPC18128 |
0.8889 | High Similarity | NPC41562 |
0.8889 | High Similarity | NPC77789 |
0.886 | High Similarity | NPC259638 |
0.8833 | High Similarity | NPC236791 |
0.8833 | High Similarity | NPC127587 |
0.8833 | High Similarity | NPC210355 |
0.8833 | High Similarity | NPC159968 |
0.8833 | High Similarity | NPC82679 |
0.8833 | High Similarity | NPC324112 |
0.8833 | High Similarity | NPC246620 |
0.8833 | High Similarity | NPC74817 |
0.8833 | High Similarity | NPC124452 |
0.8833 | High Similarity | NPC473221 |
0.8833 | High Similarity | NPC282000 |
0.8833 | High Similarity | NPC293054 |
0.8833 | High Similarity | NPC169474 |
0.8814 | High Similarity | NPC197757 |
0.8814 | High Similarity | NPC228922 |
0.8814 | High Similarity | NPC95168 |
0.8814 | High Similarity | NPC84086 |
0.8814 | High Similarity | NPC474160 |
0.8774 | High Similarity | NPC275053 |
0.8774 | High Similarity | NPC248573 |
0.8774 | High Similarity | NPC161571 |
0.8772 | High Similarity | NPC193067 |
0.876 | High Similarity | NPC470213 |
0.876 | High Similarity | NPC98631 |
0.876 | High Similarity | NPC206615 |
0.876 | High Similarity | NPC186843 |
0.875 | High Similarity | NPC223953 |
0.875 | High Similarity | NPC76451 |
0.875 | High Similarity | NPC82299 |
0.8739 | High Similarity | NPC138248 |
0.8739 | High Similarity | NPC5796 |
0.8739 | High Similarity | NPC206487 |
0.8739 | High Similarity | NPC122792 |
0.8739 | High Similarity | NPC303521 |
0.8739 | High Similarity | NPC228972 |
0.8739 | High Similarity | NPC228503 |
0.8729 | High Similarity | NPC100099 |
0.8729 | High Similarity | NPC74137 |
0.8729 | High Similarity | NPC36016 |
0.8727 | High Similarity | NPC201959 |
0.8716 | High Similarity | NPC113457 |
0.8707 | High Similarity | NPC137294 |
0.8707 | High Similarity | NPC295259 |
0.8707 | High Similarity | NPC85895 |
0.8707 | High Similarity | NPC475961 |
0.8707 | High Similarity | NPC20674 |
0.8707 | High Similarity | NPC254625 |
0.8689 | High Similarity | NPC58164 |
0.8689 | High Similarity | NPC10225 |
0.8689 | High Similarity | NPC228769 |
0.8689 | High Similarity | NPC471519 |
0.8689 | High Similarity | NPC170844 |
0.8689 | High Similarity | NPC476968 |
0.8689 | High Similarity | NPC470633 |
0.8689 | High Similarity | NPC471518 |
0.8689 | High Similarity | NPC190144 |
0.8678 | High Similarity | NPC46978 |
0.8667 | High Similarity | NPC278955 |
0.8667 | High Similarity | NPC105718 |
0.8661 | High Similarity | NPC203924 |
0.8655 | High Similarity | NPC76465 |
0.8655 | High Similarity | NPC38761 |
0.8644 | High Similarity | NPC212965 |
0.8644 | High Similarity | NPC145780 |
0.8644 | High Similarity | NPC54972 |
0.8632 | High Similarity | NPC229401 |
0.8621 | High Similarity | NPC74821 |
0.8618 | High Similarity | NPC51840 |
0.8618 | High Similarity | NPC224157 |
0.8618 | High Similarity | NPC472338 |
0.8618 | High Similarity | NPC63574 |
0.8618 | High Similarity | NPC234488 |
0.8618 | High Similarity | NPC254000 |
0.8618 | High Similarity | NPC299221 |
0.8618 | High Similarity | NPC126836 |
0.8618 | High Similarity | NPC192687 |
0.8618 | High Similarity | NPC311680 |
0.8607 | High Similarity | NPC28765 |
0.8607 | High Similarity | NPC154866 |
0.8607 | High Similarity | NPC215300 |
0.8595 | High Similarity | NPC283049 |
0.8595 | High Similarity | NPC50315 |
0.8595 | High Similarity | NPC230479 |
0.8595 | High Similarity | NPC26879 |
0.8585 | High Similarity | NPC291789 |
0.8583 | High Similarity | NPC197351 |
0.8583 | High Similarity | NPC106914 |
0.8583 | High Similarity | NPC86502 |
0.8583 | High Similarity | NPC140521 |
0.8583 | High Similarity | NPC134195 |
0.8583 | High Similarity | NPC246648 |
0.8571 | High Similarity | NPC120638 |
0.8559 | High Similarity | NPC199023 |
0.8559 | High Similarity | NPC218753 |
0.8559 | High Similarity | NPC472596 |
0.8548 | High Similarity | NPC470096 |
0.8548 | High Similarity | NPC45715 |
0.8548 | High Similarity | NPC472597 |
0.8548 | High Similarity | NPC471517 |
0.8548 | High Similarity | NPC282508 |
0.8548 | High Similarity | NPC474017 |
0.8548 | High Similarity | NPC473309 |
0.8548 | High Similarity | NPC12275 |
0.8548 | High Similarity | NPC474356 |
0.8548 | High Similarity | NPC470095 |
0.8548 | High Similarity | NPC15543 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC180508 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 |
---|---|---|---|
0.8774 | High Similarity | NPD1242 | Phase 1 |
0.8689 | High Similarity | NPD3027 | Phase 3 |
0.8621 | High Similarity | NPD1548 | Phase 1 |
0.85 | High Similarity | NPD2982 | Phase 2 |
0.85 | High Similarity | NPD2983 | Phase 2 |
0.8487 | Intermediate Similarity | NPD1610 | Phase 2 |
0.8455 | Intermediate Similarity | NPD4908 | Phase 1 |
0.8417 | Intermediate Similarity | NPD2981 | Phase 2 |
0.832 | Intermediate Similarity | NPD4907 | Clinical (unspecified phase) |
0.824 | Intermediate Similarity | NPD4625 | Phase 3 |
0.8226 | Intermediate Similarity | NPD3018 | Phase 2 |
0.8197 | Intermediate Similarity | NPD4749 | Approved |
0.816 | Intermediate Similarity | NPD1529 | Clinical (unspecified phase) |
0.808 | Intermediate Similarity | NPD1530 | Clinical (unspecified phase) |
0.8047 | Intermediate Similarity | NPD1613 | Approved |
0.8047 | Intermediate Similarity | NPD1612 | Clinical (unspecified phase) |
0.8033 | Intermediate Similarity | NPD422 | Phase 1 |
0.8018 | Intermediate Similarity | NPD940 | Approved |
0.8018 | Intermediate Similarity | NPD846 | Approved |
0.8017 | Intermediate Similarity | NPD228 | Approved |
0.8 | Intermediate Similarity | NPD6917 | Clinical (unspecified phase) |
0.7963 | Intermediate Similarity | NPD2933 | Approved |
0.7963 | Intermediate Similarity | NPD2934 | Approved |
0.7937 | Intermediate Similarity | NPD2861 | Phase 2 |
0.7903 | Intermediate Similarity | NPD3600 | Clinical (unspecified phase) |
0.7903 | Intermediate Similarity | NPD4379 | Clinical (unspecified phase) |
0.7895 | Intermediate Similarity | NPD968 | Approved |
0.7891 | Intermediate Similarity | NPD6859 | Clinical (unspecified phase) |
0.7891 | Intermediate Similarity | NPD6410 | Clinical (unspecified phase) |
0.789 | Intermediate Similarity | NPD2859 | Approved |
0.789 | Intermediate Similarity | NPD2860 | Approved |
0.7881 | Intermediate Similarity | NPD5283 | Phase 1 |
0.7845 | Intermediate Similarity | NPD4750 | Phase 3 |
0.7838 | Intermediate Similarity | NPD3020 | Approved |
0.7769 | Intermediate Similarity | NPD1240 | Approved |
0.775 | Intermediate Similarity | NPD6671 | Approved |
0.7717 | Intermediate Similarity | NPD6584 | Phase 3 |
0.7692 | Intermediate Similarity | NPD5451 | Approved |
0.7652 | Intermediate Similarity | NPD1607 | Approved |
0.7623 | Intermediate Similarity | NPD5536 | Phase 2 |
0.7609 | Intermediate Similarity | NPD4357 | Discontinued |
0.7607 | Intermediate Similarity | NPD2684 | Approved |
0.7556 | Intermediate Similarity | NPD3540 | Phase 1 |
0.7542 | Intermediate Similarity | NPD3022 | Approved |
0.7542 | Intermediate Similarity | NPD3021 | Approved |
0.7537 | Intermediate Similarity | NPD1510 | Phase 2 |
0.75 | Intermediate Similarity | NPD2238 | Phase 2 |
0.75 | Intermediate Similarity | NPD1357 | Approved |
0.7481 | Intermediate Similarity | NPD3539 | Phase 1 |
0.7481 | Intermediate Similarity | NPD6100 | Approved |
0.7481 | Intermediate Similarity | NPD6099 | Approved |
0.748 | Intermediate Similarity | NPD6582 | Phase 2 |
0.748 | Intermediate Similarity | NPD6583 | Phase 3 |
0.7453 | Intermediate Similarity | NPD111 | Approved |
0.744 | Intermediate Similarity | NPD2667 | Approved |
0.744 | Intermediate Similarity | NPD2668 | Approved |
0.744 | Intermediate Similarity | NPD4626 | Approved |
0.7436 | Intermediate Similarity | NPD3134 | Approved |
0.7429 | Intermediate Similarity | NPD7447 | Phase 1 |
0.7429 | Intermediate Similarity | NPD4378 | Clinical (unspecified phase) |
0.7402 | Intermediate Similarity | NPD2230 | Approved |
0.7402 | Intermediate Similarity | NPD2232 | Approved |
0.7402 | Intermediate Similarity | NPD2233 | Approved |
0.7402 | Intermediate Similarity | NPD1608 | Approved |
0.7381 | Intermediate Similarity | NPD3847 | Discontinued |
0.7373 | Intermediate Similarity | NPD290 | Approved |
0.7372 | Intermediate Similarity | NPD970 | Clinical (unspecified phase) |
0.7368 | Intermediate Similarity | NPD4060 | Phase 1 |
0.7368 | Intermediate Similarity | NPD1558 | Phase 1 |
0.736 | Intermediate Similarity | NPD1651 | Approved |
0.7357 | Intermediate Similarity | NPD7212 | Phase 2 |
0.7357 | Intermediate Similarity | NPD7213 | Phase 3 |
0.7355 | Intermediate Similarity | NPD821 | Approved |
0.7355 | Intermediate Similarity | NPD7843 | Approved |
0.7355 | Intermediate Similarity | NPD5535 | Approved |
0.7353 | Intermediate Similarity | NPD2935 | Discontinued |
0.7344 | Intermediate Similarity | NPD1669 | Approved |
0.7339 | Intermediate Similarity | NPD9295 | Approved |
0.7323 | Intermediate Similarity | NPD1091 | Approved |
0.7321 | Intermediate Similarity | NPD1432 | Clinical (unspecified phase) |
0.7317 | Intermediate Similarity | NPD7157 | Approved |
0.7317 | Intermediate Similarity | NPD709 | Approved |
0.7308 | Intermediate Similarity | NPD4624 | Approved |
0.7302 | Intermediate Similarity | NPD1778 | Approved |
0.7299 | Intermediate Similarity | NPD1552 | Clinical (unspecified phase) |
0.7299 | Intermediate Similarity | NPD1550 | Clinical (unspecified phase) |
0.7292 | Intermediate Similarity | NPD4675 | Approved |
0.7292 | Intermediate Similarity | NPD4678 | Approved |
0.7287 | Intermediate Similarity | NPD1283 | Approved |
0.728 | Intermediate Similarity | NPD1182 | Approved |
0.7266 | Intermediate Similarity | NPD3892 | Phase 2 |
0.7266 | Intermediate Similarity | NPD3750 | Approved |
0.7266 | Intermediate Similarity | NPD2235 | Phase 2 |
0.7266 | Intermediate Similarity | NPD2231 | Phase 2 |
0.726 | Intermediate Similarity | NPD2801 | Approved |
0.726 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.7259 | Intermediate Similarity | NPD4097 | Suspended |
0.7257 | Intermediate Similarity | NPD844 | Approved |
0.7246 | Intermediate Similarity | NPD1549 | Phase 2 |
0.7234 | Intermediate Similarity | NPD1511 | Approved |
0.7227 | Intermediate Similarity | NPD1358 | Approved |
0.7226 | Intermediate Similarity | NPD2796 | Approved |
0.7226 | Intermediate Similarity | NPD1551 | Phase 2 |
0.7222 | Intermediate Similarity | NPD5585 | Approved |
0.7214 | Intermediate Similarity | NPD5307 | Clinical (unspecified phase) |
0.7214 | Intermediate Similarity | NPD2219 | Phase 1 |
0.7194 | Intermediate Similarity | NPD3060 | Approved |
0.7194 | Intermediate Similarity | NPD5698 | Clinical (unspecified phase) |
0.7192 | Intermediate Similarity | NPD1934 | Approved |
0.7188 | Intermediate Similarity | NPD3705 | Approved |
0.7185 | Intermediate Similarity | NPD5123 | Clinical (unspecified phase) |
0.7185 | Intermediate Similarity | NPD5124 | Phase 1 |
0.717 | Intermediate Similarity | NPD9089 | Approved |
0.7165 | Intermediate Similarity | NPD5846 | Approved |
0.7165 | Intermediate Similarity | NPD2423 | Clinical (unspecified phase) |
0.7165 | Intermediate Similarity | NPD17 | Approved |
0.7165 | Intermediate Similarity | NPD6516 | Phase 2 |
0.7163 | Intermediate Similarity | NPD7124 | Phase 2 |
0.7162 | Intermediate Similarity | NPD3882 | Suspended |
0.7154 | Intermediate Similarity | NPD3225 | Approved |
0.7154 | Intermediate Similarity | NPD6696 | Suspended |
0.7143 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD7095 | Approved |
0.7143 | Intermediate Similarity | NPD1894 | Discontinued |
0.7133 | Intermediate Similarity | NPD1512 | Approved |
0.7132 | Intermediate Similarity | NPD2568 | Approved |
0.7132 | Intermediate Similarity | NPD3052 | Approved |
0.7132 | Intermediate Similarity | NPD3054 | Approved |
0.712 | Intermediate Similarity | NPD3596 | Phase 2 |
0.7111 | Intermediate Similarity | NPD3620 | Phase 2 |
0.7111 | Intermediate Similarity | NPD3619 | Clinical (unspecified phase) |
0.7109 | Intermediate Similarity | NPD3496 | Discontinued |
0.7103 | Intermediate Similarity | NPD4005 | Discontinued |
0.7099 | Intermediate Similarity | NPD2797 | Approved |
0.709 | Intermediate Similarity | NPD3145 | Approved |
0.709 | Intermediate Similarity | NPD3144 | Approved |
0.7087 | Intermediate Similarity | NPD5691 | Approved |
0.708 | Intermediate Similarity | NPD6111 | Discontinued |
0.708 | Intermediate Similarity | NPD4538 | Approved |
0.708 | Intermediate Similarity | NPD4536 | Approved |
0.708 | Intermediate Similarity | NPD4537 | Clinical (unspecified phase) |
0.7077 | Intermediate Similarity | NPD5327 | Phase 3 |
0.7075 | Intermediate Similarity | NPD9093 | Approved |
0.7075 | Intermediate Similarity | NPD37 | Approved |
0.7063 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.7059 | Intermediate Similarity | NPD5735 | Approved |
0.7059 | Intermediate Similarity | NPD230 | Phase 1 |
0.7055 | Intermediate Similarity | NPD4380 | Phase 2 |
0.7054 | Intermediate Similarity | NPD1281 | Approved |
0.7054 | Intermediate Similarity | NPD1535 | Discovery |
0.7043 | Intermediate Similarity | NPD288 | Approved |
0.7037 | Intermediate Similarity | NPD2674 | Phase 3 |
0.7034 | Intermediate Similarity | NPD1653 | Approved |
0.7027 | Intermediate Similarity | NPD7819 | Suspended |
0.7023 | Intermediate Similarity | NPD8651 | Approved |
0.7021 | Intermediate Similarity | NPD7466 | Approved |
0.7021 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.7018 | Intermediate Similarity | NPD9296 | Approved |
0.7009 | Intermediate Similarity | NPD289 | Clinical (unspecified phase) |
0.7009 | Intermediate Similarity | NPD3028 | Approved |
0.7008 | Intermediate Similarity | NPD6580 | Approved |
0.7008 | Intermediate Similarity | NPD6581 | Approved |
0.7008 | Intermediate Similarity | NPD3091 | Approved |
0.7008 | Intermediate Similarity | NPD9545 | Approved |
0.7007 | Intermediate Similarity | NPD1772 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD1840 | Phase 2 |
0.7 | Intermediate Similarity | NPD1481 | Phase 2 |
0.6993 | Remote Similarity | NPD6799 | Approved |
0.6993 | Remote Similarity | NPD6143 | Clinical (unspecified phase) |
0.6992 | Remote Similarity | NPD4993 | Discontinued |
0.6992 | Remote Similarity | NPD9494 | Approved |
0.6985 | Remote Similarity | NPD4140 | Approved |
0.698 | Remote Similarity | NPD8443 | Clinical (unspecified phase) |
0.6966 | Remote Similarity | NPD6980 | Clinical (unspecified phase) |
0.6954 | Remote Similarity | NPD6234 | Discontinued |
0.6953 | Remote Similarity | NPD6830 | Clinical (unspecified phase) |
0.695 | Remote Similarity | NPD4236 | Phase 3 |
0.695 | Remote Similarity | NPD4237 | Approved |
0.695 | Remote Similarity | NPD1652 | Phase 2 |
0.6947 | Remote Similarity | NPD3676 | Clinical (unspecified phase) |
0.6947 | Remote Similarity | NPD4359 | Approved |
0.6944 | Remote Similarity | NPD4123 | Phase 3 |
0.694 | Remote Similarity | NPD600 | Approved |
0.694 | Remote Similarity | NPD1008 | Clinical (unspecified phase) |
0.694 | Remote Similarity | NPD596 | Approved |
0.694 | Remote Similarity | NPD5752 | Clinical (unspecified phase) |
0.6935 | Remote Similarity | NPD7635 | Approved |
0.6934 | Remote Similarity | NPD4340 | Discontinued |
0.6933 | Remote Similarity | NPD4965 | Approved |
0.6933 | Remote Similarity | NPD4868 | Clinical (unspecified phase) |
0.6933 | Remote Similarity | NPD4967 | Phase 2 |
0.6933 | Remote Similarity | NPD4966 | Approved |
0.6933 | Remote Similarity | NPD7768 | Phase 2 |
0.6929 | Remote Similarity | NPD7266 | Discontinued |
0.6928 | Remote Similarity | NPD6232 | Discontinued |
0.6923 | Remote Similarity | NPD3092 | Approved |
0.6917 | Remote Similarity | NPD3690 | Phase 2 |
0.6917 | Remote Similarity | NPD3691 | Phase 2 |
0.6912 | Remote Similarity | NPD6233 | Phase 2 |
0.6906 | Remote Similarity | NPD5960 | Phase 3 |
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.