Molecular Weight:   | 358.14 |
Volume:   | 357.173 |
LogP:   | 2.474 |
LogD:   | 2.754 |
LogS:   | -4.082 |
# Rotatable Bonds:   | 4 |
TPSA:   | 77.38 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 2 |
# Rings:   | 4 |
# Heavy Atoms:   | 6 |
QED Drug-Likeness Score:   | 0.874 |
Synthetic Accessibility Score:   | 3.679 |
Fsp3:   | 0.4 |
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:   | -4.755 |
MDCK Permeability:   | 1.6237649106187746e-05 |
Pgp-inhibitor:   | 0.006 |
Pgp-substrate:   | 0.513 |
Human Intestinal Absorption (HIA):   | 0.005 |
20% Bioavailability (F20%):   | 0.012 |
30% Bioavailability (F30%):   | 0.025 |
Blood-Brain-Barrier Penetration (BBB):   | 0.054 |
Plasma Protein Binding (PPB):   | 93.69544219970703% |
Volume Distribution (VD):   | 0.552 |
Pgp-substrate:   | 9.500166893005371% |
CYP1A2-inhibitor:   | 0.059 |
CYP1A2-substrate:   | 0.85 |
CYP2C19-inhibitor:   | 0.093 |
CYP2C19-substrate:   | 0.648 |
CYP2C9-inhibitor:   | 0.425 |
CYP2C9-substrate:   | 0.704 |
CYP2D6-inhibitor:   | 0.359 |
CYP2D6-substrate:   | 0.867 |
CYP3A4-inhibitor:   | 0.31 |
CYP3A4-substrate:   | 0.606 |
Clearance (CL):   | 8.585 |
Half-life (T1/2):   | 0.635 |
hERG Blockers:   | 0.358 |
Human Hepatotoxicity (H-HT):   | 0.223 |
Drug-inuced Liver Injury (DILI):   | 0.842 |
AMES Toxicity:   | 0.17 |
Rat Oral Acute Toxicity:   | 0.109 |
Maximum Recommended Daily Dose:   | 0.845 |
Skin Sensitization:   | 0.945 |
Carcinogencity:   | 0.193 |
Eye Corrosion:   | 0.005 |
Eye Irritation:   | 0.924 |
Respiratory Toxicity:   | 0.893 |
Natural Product ID:   | NPC161557 |
Common Name*:   | Pinoresinol |
IUPAC Name:   | 4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
Synonyms:   | Epipinoresinol; Pinoresinol |
Standard InCHIKey:   | HGXBRUKMWQGOIE-WZBLMQSHSA-N |
Standard InCHI:   | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1 |
SMILES:   | COc1cc(ccc1O)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(c(c1)OC)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL487611 |
PubChem CID:   |
637584 |
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 |
---|---|---|---|---|---|---|---|---|
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seeds | n.a. | DOI[10.1002/ejlt.201100207] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | fruit | n.a. | DOI[10.1007/s00217-007-0799-1] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1007/s11746-997-0093-1] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | seed | n.a. | DOI[10.1016/0031-9422(96)00258-0] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | flower | n.a. | DOI[10.1016/j.foodchem.2011.01.077] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | fruit | n.a. | DOI[10.1016/S1383-5769(99)00023-9] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seeds | n.a. | DOI[10.5219/332] | |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10086989] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[11000020] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11520216] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | seed | n.a. |
PMID[11540412] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12081149] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | tuber | n.a. |
PMID[12913245] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[1293938] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[1512598] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[15165151] |
NPO3939 | Ardisia arborescens | Species | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[15387676] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | n.a. | flower | n.a. |
PMID[15481244] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[15620261] |
NPO15520 | Dracocephalum kotschyi | Species | Lamiaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[15949825] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | root | n.a. |
PMID[15997133] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | root | n.a. |
PMID[16141313] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16181762] |
NPO12107 | Arnica montana | Species | Asteraceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[16644542] |
NPO9829 | Arnica chamissonis | Species | Asteraceae | Eukaryota | n.a. | root | n.a. |
PMID[16644542] |
NPO5484 | Arnica angustifolia | Species | Asteraceae | Eukaryota | n.a. | flower | n.a. |
PMID[16644542] |
NPO29227 | Arnica lonchophylla | Species | Asteraceae | Eukaryota | n.a. | flower | n.a. |
PMID[16644542] |
NPO9829 | Arnica chamissonis | Species | Asteraceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[16644542] |
NPO12107 | Arnica montana | Species | Asteraceae | Eukaryota | n.a. | root | n.a. |
PMID[16644542] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | stem | n.a. |
PMID[16651764] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | Whole plant | n.a. | steroidal saponins |
PMID[16933867] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17156960] |
NPO30984 | Fraxinus sieboldiana | Species | Oleaceae | Eukaryota | stem bark | n.a. | n.a. |
PMID[17461599] |
NPO3629 | Avicennia marina | Species | Acanthaceae | Eukaryota | twigs | n.a. | n.a. |
PMID[17500572] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | fruit | Indonesia | n.a. |
PMID[17896817] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | roots | n.a. | n.a. |
PMID[18044843] |
NPO15146 | Myrica nana | Species | Myricaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18723353] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | Vietnam | n.a. |
PMID[19026551] |
NPO3629 | Avicennia marina | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19377635] |
NPO6329 | Abies chensiensis | Species | Pinaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19435338] |
NPO17039 | Pharbitis nil | Species | Convolvulaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[19435339] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[20050684] |
NPO10742 | Galium verum | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20209910] |
NPO30984 | Fraxinus sieboldiana | Species | Oleaceae | Eukaryota | n.a. | stem | n.a. |
PMID[20961093] |
NPO30984 | Fraxinus sieboldiana | Species | Oleaceae | Eukaryota | Stem bark | Lu Mountain, Jiangxi Province, China | 2004-AUG |
PMID[20961093] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[21401114] |
NPO16877 | Aconitum episcopale | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[21417277] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | flower | n.a. |
PMID[21916433] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | root | n.a. |
PMID[22051934] |
NPO15436 | Brucea mollis | Species | Simaroubaceae | Eukaryota | n.a. | stem | n.a. |
PMID[22070654] |
NPO15436 | Brucea mollis | Species | Simaroubaceae | Eukaryota | stems | n.a. | n.a. |
PMID[22070654] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[22223386] |
NPO14126 | Garcinia oligantha | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22365754] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | callus | n.a. |
PMID[22368856] |
NPO6336 | Asarum sieboldii | Species | Aristolochiaceae | Eukaryota | roots | n.a. | n.a. |
PMID[22381047] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[22506620] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22537213] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | Lateral roots | n.a. | n.a. |
PMID[22607495] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[22628040] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[22907155] |
NPO18042 | Geranium nepalense | Species | Geraniaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23006989] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23189738] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[23225552] |
NPO12107 | Arnica montana | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23501116] |
NPO9829 | Arnica chamissonis | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23501116] |
NPO5484 | Arnica angustifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23501116] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | flower buds | n.a. | n.a. |
PMID[23558238] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23611151] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23707213] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[23707213] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[24190290] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[24190290] |
NPO15436 | Brucea mollis | Species | Simaroubaceae | Eukaryota | n.a. | stem | n.a. |
PMID[24199564] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24417583] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24793215] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | roots | n.a. | n.a. |
PMID[24931277] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | aerial parts | herbal garden of Chungbuk National University, Cheongju, Korea | 2012-Oct |
PMID[24963714] |
NPO30756 | Hypericum petiolulatum | Species | Hypericaceae | Eukaryota | n.a. | stem | n.a. |
PMID[26323143] |
NPO30756 | Hypericum petiolulatum | Species | Hypericaceae | Eukaryota | n.a. | branch | n.a. |
PMID[26323143] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26422318] |
NPO15520 | Dracocephalum kotschyi | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26522747] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26562066] |
NPO30984 | Fraxinus sieboldiana | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26697686] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[26923696] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26988298] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27228307] |
NPO14126 | Garcinia oligantha | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27329938] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[27761113] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[28218000] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[30676026] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[30892884] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[31150241] |
NPO6329 | Abies chensiensis | Species | Pinaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31557016] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31860304] |
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[32004936] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32223193] |
NPO9740 | Dacrycarpus imbricatus | Species | Podocarpaceae | Eukaryota | Twigs | n.a. | n.a. |
PMID[32786878] |
NPO14126 | Garcinia oligantha | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[33296199] |
NPO40011 | Allamanda schottii | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[3379414] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[6481366] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[7561896] |
NPO211 | Aplysina cauliformis | Species | Aplysinidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8350091] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | root | n.a. | Database[Article] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | aerial part | n.a. | Database[Article] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seed Oil | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Stem Bark | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Twig | n.a. | n.a. | Database[FooDB] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Bark | n.a. | n.a. | Database[FooDB] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Pericarp | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Root Bark | n.a. | n.a. | Database[FooDB] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO6336 | Asarum sieboldii | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3939 | Ardisia arborescens | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[HerDing] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18042 | Geranium nepalense | Species | Geraniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO10742 | Galium verum | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15520 | Dracocephalum kotschyi | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10742 | Galium verum | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9740 | Dacrycarpus imbricatus | Species | Podocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15520 | Dracocephalum kotschyi | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12107 | Arnica montana | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12128 | Ipomoea purpurea | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9069 | Persicaria tinctoria | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO6336 | Asarum sieboldii | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12089 | Trifolium alexandrinum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15902 | Iris spuria | Species | Iridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17039 | Pharbitis nil | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18042 | Geranium nepalense | Species | Geraniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3939 | Ardisia arborescens | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO6336 | Asarum sieboldii | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO10742 | Galium verum | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO12468 | Asarum heterotropoides | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO12107 | Arnica montana | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO4659 | Asiasarum heterotropoides | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29008 | Coptis teeta | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9069 | Persicaria tinctoria | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO12468 | Asarum heterotropoides | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO6336 | Asarum sieboldii | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22589 | Clematis armandii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17039 | Pharbitis nil | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29078 | Asiasarum sieboldii | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO12128 | Ipomoea purpurea | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23035 | Clematis montana | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11084 | Asplenium normale | Species | Aspleniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14749 | Lippia carviodora | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29227 | Arnica lonchophylla | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11432 | Centrolobium tomentosum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4659 | Asiasarum heterotropoides | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17039 | Pharbitis nil | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29008 | Coptis teeta | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12089 | Trifolium alexandrinum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1206 | Aspergillus citricus | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11637 | Psilostrophe cooperi | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5504 | Verbascum salviifolium | Species | Scrophulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3629 | Avicennia marina | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16877 | Aconitum episcopale | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6911 | Nummularia discreta | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14150 | Solanum jamaicense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9962 | Pocillopora damicornis | Species | Pocilloporidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3278 | Spongia communis | Species | Spongiidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5303 | Castanea crenata | Species | Fagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16119 | Eucalyptus hybrid | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12107 | Arnica montana | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15520 | Dracocephalum kotschyi | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8439 | Lecanora stenotropa | Species | Lecanoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14528 | Pneumatospora obcoronata | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5484 | Arnica angustifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6336 | Asarum sieboldii | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12128 | Ipomoea purpurea | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12717 | Parmelia metastrigosa | Species | Parmeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO211 | Aplysina cauliformis | Species | Aplysinidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10818 | Carpobrotus edulis | Species | Aizoaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12944 | Sideritis tragoriganum | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9203 | Cephalonomia gallicola | Species | Bethylidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18042 | Geranium nepalense | Species | Geraniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15146 | Myrica nana | Species | Myricaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29078 | Asiasarum sieboldii | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11873 | Oecophylla smaragdina | Species | Formicidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6329 | Abies chensiensis | Species | Pinaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3164 | Yponomeuta malinellus | Species | Yponomeutidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO745 | Rubus trifidus | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14845 | Ceratophyllum submersum | Species | Ceratophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15193 | Cacia concinna | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15902 | Iris spuria | Species | Iridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14126 | Garcinia oligantha | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15436 | Brucea mollis | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10742 | Galium verum | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13926 | Protaetia cuprea | Species | Scarabaeidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16552 | Aromia moschata | Species | Cerambycidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1711 | Eupatorium buniifolium | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9069 | Persicaria tinctoria | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14948 | Brucea javanica | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9740 | Dacrycarpus imbricatus | Species | Podocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7909 | Parmelia vittata | Species | Parmeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3939 | Ardisia arborescens | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1641 | Amycolatopsis azurea | Species | Pseudonocardiaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3741 | Pagrus major | Species | Sparidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26718 | Chelidonura fulvipunctata | Species | Aglajidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12468 | Asarum heterotropoides | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9829 | Arnica chamissonis | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25114 | Linum usitatissimum | Species | Linaceae | 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 |
---|---|---|---|---|---|---|---|---|
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | n.a. | 11577.4 | nM | PMID[495006] |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | EC50 | = | 49500.0 | nM | PMID[495007] |
NPT1852 | Individual Protein | Rac GTPase-activating protein 1 | Homo sapiens | IC50 | n.a. | 171320.0 | nM | PMID[495006] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 39500.0 | nM | PMID[495008] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | > | 50000.0 | nM | PMID[495008] |
NPT2740 | Cell Line | Neutrophils | IC50 | = | 3.4 | ug.mL-1 | PMID[495011] | |
NPT2740 | Cell Line | Neutrophils | IC50 | > | 10.0 | ug.mL-1 | PMID[495011] | |
NPT2740 | Cell Line | Neutrophils | Inhibition | > | 50.0 | % | PMID[495011] | |
NPT140 | Organism | Artemia | Artemia | LC50 | = | 377.0 | ppm | PMID[495005] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | ED50 | = | 100.0 | ug ml-1 | PMID[495005] |
NPT2 | Others | Unspecified | EC50 | = | 10300.0 | nM | PMID[495007] | |
NPT866 | Individual Protein | Peroxisome proliferator-activated receptor alpha | Homo sapiens | EC50 | > | 60000.0 | nM | PMID[495007] |
NPT99 | Individual Protein | Peroxisome proliferator-activated receptor gamma | Homo sapiens | EC50 | = | 58600.0 | nM | PMID[495007] |
NPT2 | Others | Unspecified | IC50 | n.a. | 100000.0 | nM | PMID[495006] |
☑ 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 NPC161557 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 | NPC27843 |
1.0 | High Similarity | NPC158079 |
1.0 | High Similarity | NPC40432 |
1.0 | High Similarity | NPC115207 |
1.0 | High Similarity | NPC228346 |
1.0 | High Similarity | NPC7171 |
0.992 | High Similarity | NPC181049 |
0.992 | High Similarity | NPC207400 |
0.9762 | High Similarity | NPC4940 |
0.976 | High Similarity | NPC241522 |
0.976 | High Similarity | NPC42300 |
0.976 | High Similarity | NPC257582 |
0.976 | High Similarity | NPC153739 |
0.976 | High Similarity | NPC242807 |
0.976 | High Similarity | NPC77040 |
0.976 | High Similarity | NPC145305 |
0.976 | High Similarity | NPC174495 |
0.976 | High Similarity | NPC64201 |
0.976 | High Similarity | NPC187998 |
0.976 | High Similarity | NPC92164 |
0.9758 | High Similarity | NPC11258 |
0.9758 | High Similarity | NPC184733 |
0.9758 | High Similarity | NPC128208 |
0.9758 | High Similarity | NPC129570 |
0.9758 | High Similarity | NPC282703 |
0.9758 | High Similarity | NPC45774 |
0.9758 | High Similarity | NPC21867 |
0.9688 | High Similarity | NPC99572 |
0.9688 | High Similarity | NPC126409 |
0.9683 | High Similarity | NPC277804 |
0.968 | High Similarity | NPC475875 |
0.96 | High Similarity | NPC470084 |
0.9535 | High Similarity | NPC142547 |
0.9535 | High Similarity | NPC141765 |
0.9535 | High Similarity | NPC135777 |
0.9535 | High Similarity | NPC165155 |
0.9535 | High Similarity | NPC24490 |
0.9535 | High Similarity | NPC34103 |
0.9531 | High Similarity | NPC158331 |
0.952 | High Similarity | NPC165045 |
0.952 | High Similarity | NPC118533 |
0.9466 | High Similarity | NPC123526 |
0.9466 | High Similarity | NPC88640 |
0.9466 | High Similarity | NPC193666 |
0.9457 | High Similarity | NPC67247 |
0.9457 | High Similarity | NPC287745 |
0.9453 | High Similarity | NPC175067 |
0.9453 | High Similarity | NPC204215 |
0.944 | High Similarity | NPC206882 |
0.9435 | High Similarity | NPC257682 |
0.9435 | High Similarity | NPC121783 |
0.9435 | High Similarity | NPC34902 |
0.9435 | High Similarity | NPC131747 |
0.9435 | High Similarity | NPC18449 |
0.9435 | High Similarity | NPC146355 |
0.9365 | High Similarity | NPC5428 |
0.936 | High Similarity | NPC148627 |
0.9355 | High Similarity | NPC31344 |
0.9355 | High Similarity | NPC317769 |
0.9313 | High Similarity | NPC54743 |
0.9313 | High Similarity | NPC156502 |
0.9313 | High Similarity | NPC471988 |
0.9313 | High Similarity | NPC177160 |
0.9313 | High Similarity | NPC10737 |
0.9313 | High Similarity | NPC209985 |
0.9313 | High Similarity | NPC263367 |
0.9313 | High Similarity | NPC477939 |
0.9313 | High Similarity | NPC29799 |
0.9308 | High Similarity | NPC49603 |
0.9308 | High Similarity | NPC326095 |
0.9308 | High Similarity | NPC471942 |
0.9308 | High Similarity | NPC193026 |
0.9308 | High Similarity | NPC187616 |
0.9308 | High Similarity | NPC244983 |
0.9302 | High Similarity | NPC471505 |
0.9291 | High Similarity | NPC252307 |
0.9291 | High Similarity | NPC245826 |
0.9291 | High Similarity | NPC474178 |
0.9248 | High Similarity | NPC177868 |
0.9248 | High Similarity | NPC55793 |
0.9242 | High Similarity | NPC281780 |
0.9237 | High Similarity | NPC184938 |
0.9237 | High Similarity | NPC101624 |
0.9225 | High Similarity | NPC474017 |
0.9213 | High Similarity | NPC292056 |
0.9213 | High Similarity | NPC118787 |
0.9213 | High Similarity | NPC147821 |
0.9213 | High Similarity | NPC111247 |
0.9213 | High Similarity | NPC163332 |
0.9213 | High Similarity | NPC183181 |
0.9213 | High Similarity | NPC41706 |
0.9213 | High Similarity | NPC319625 |
0.92 | High Similarity | NPC471693 |
0.92 | High Similarity | NPC280704 |
0.92 | High Similarity | NPC473451 |
0.9194 | High Similarity | NPC126935 |
0.9194 | High Similarity | NPC57268 |
0.9194 | High Similarity | NPC312713 |
0.9194 | High Similarity | NPC172676 |
0.9194 | High Similarity | NPC65933 |
0.9194 | High Similarity | NPC216929 |
0.9185 | High Similarity | NPC477898 |
0.9185 | High Similarity | NPC298317 |
0.9185 | High Similarity | NPC255566 |
0.9185 | High Similarity | NPC265154 |
0.9167 | High Similarity | NPC77861 |
0.9154 | High Similarity | NPC259742 |
0.9154 | High Similarity | NPC219671 |
0.9154 | High Similarity | NPC147616 |
0.9154 | High Similarity | NPC106739 |
0.9154 | High Similarity | NPC104077 |
0.9141 | High Similarity | NPC222127 |
0.9141 | High Similarity | NPC82862 |
0.9134 | High Similarity | NPC58607 |
0.9134 | High Similarity | NPC178284 |
0.9134 | High Similarity | NPC191037 |
0.912 | High Similarity | NPC85488 |
0.9118 | High Similarity | NPC470097 |
0.9118 | High Similarity | NPC84181 |
0.9118 | High Similarity | NPC114119 |
0.9118 | High Similarity | NPC471415 |
0.9104 | High Similarity | NPC160283 |
0.9104 | High Similarity | NPC254759 |
0.9104 | High Similarity | NPC184797 |
0.9104 | High Similarity | NPC309124 |
0.9091 | High Similarity | NPC18576 |
0.9084 | High Similarity | NPC26394 |
0.9084 | High Similarity | NPC169973 |
0.907 | High Similarity | NPC170844 |
0.907 | High Similarity | NPC476968 |
0.907 | High Similarity | NPC5851 |
0.907 | High Similarity | NPC86030 |
0.9062 | High Similarity | NPC8050 |
0.9062 | High Similarity | NPC473093 |
0.9062 | High Similarity | NPC473092 |
0.9062 | High Similarity | NPC127587 |
0.9055 | High Similarity | NPC194519 |
0.9051 | High Similarity | NPC279298 |
0.9051 | High Similarity | NPC223185 |
0.9051 | High Similarity | NPC22150 |
0.9051 | High Similarity | NPC38041 |
0.9044 | High Similarity | NPC12728 |
0.9044 | High Similarity | NPC185071 |
0.904 | High Similarity | NPC262156 |
0.904 | High Similarity | NPC470804 |
0.904 | High Similarity | NPC184651 |
0.904 | High Similarity | NPC324571 |
0.904 | High Similarity | NPC343720 |
0.904 | High Similarity | NPC54872 |
0.904 | High Similarity | NPC470212 |
0.904 | High Similarity | NPC473853 |
0.904 | High Similarity | NPC476343 |
0.904 | High Similarity | NPC312675 |
0.904 | High Similarity | NPC113865 |
0.9037 | High Similarity | NPC87725 |
0.9037 | High Similarity | NPC472711 |
0.9037 | High Similarity | NPC471414 |
0.9037 | High Similarity | NPC263261 |
0.9032 | High Similarity | NPC95614 |
0.9032 | High Similarity | NPC227217 |
0.9032 | High Similarity | NPC56214 |
0.9032 | High Similarity | NPC232316 |
0.9032 | High Similarity | NPC242885 |
0.9032 | High Similarity | NPC165133 |
0.9032 | High Similarity | NPC117780 |
0.903 | High Similarity | NPC236306 |
0.903 | High Similarity | NPC292882 |
0.903 | High Similarity | NPC473739 |
0.903 | High Similarity | NPC232164 |
0.9015 | High Similarity | NPC47181 |
0.9015 | High Similarity | NPC478085 |
0.9008 | High Similarity | NPC253105 |
0.9008 | High Similarity | NPC201587 |
0.9008 | High Similarity | NPC230219 |
0.9 | High Similarity | NPC275950 |
0.9 | High Similarity | NPC173308 |
0.9 | High Similarity | NPC143483 |
0.9 | High Similarity | NPC181079 |
0.8992 | High Similarity | NPC165128 |
0.8992 | High Similarity | NPC186843 |
0.8992 | High Similarity | NPC54321 |
0.8992 | High Similarity | NPC98631 |
0.8992 | High Similarity | NPC57119 |
0.8992 | High Similarity | NPC328682 |
0.8992 | High Similarity | NPC158471 |
0.8992 | High Similarity | NPC470213 |
0.8992 | High Similarity | NPC226862 |
0.8992 | High Similarity | NPC206615 |
0.8992 | High Similarity | NPC72529 |
0.8992 | High Similarity | NPC281864 |
0.8986 | High Similarity | NPC317053 |
0.8986 | High Similarity | NPC112861 |
0.8986 | High Similarity | NPC324492 |
0.8984 | High Similarity | NPC50683 |
0.8984 | High Similarity | NPC112571 |
0.8984 | High Similarity | NPC76451 |
0.8984 | High Similarity | NPC285725 |
0.8976 | High Similarity | NPC293701 |
0.8976 | High Similarity | NPC94276 |
0.8976 | High Similarity | NPC48990 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC161557 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 |
---|---|---|---|
0.907 | High Similarity | NPD3027 | Phase 3 |
0.8468 | Intermediate Similarity | NPD5283 | Phase 1 |
0.8444 | Intermediate Similarity | NPD1613 | Approved |
0.8444 | Intermediate Similarity | NPD1612 | Clinical (unspecified phase) |
0.8306 | Intermediate Similarity | NPD228 | Approved |
0.8284 | Intermediate Similarity | NPD1529 | Clinical (unspecified phase) |
0.8209 | Intermediate Similarity | NPD1530 | Clinical (unspecified phase) |
0.8209 | Intermediate Similarity | NPD2861 | Phase 2 |
0.8175 | Intermediate Similarity | NPD3620 | Phase 2 |
0.8175 | Intermediate Similarity | NPD3619 | Clinical (unspecified phase) |
0.8168 | Intermediate Similarity | NPD3705 | Approved |
0.8146 | Intermediate Similarity | NPD6234 | Discontinued |
0.8145 | Intermediate Similarity | NPD3021 | Approved |
0.8145 | Intermediate Similarity | NPD3022 | Approved |
0.8045 | Intermediate Similarity | NPD4379 | Clinical (unspecified phase) |
0.7895 | Intermediate Similarity | NPD4966 | Approved |
0.7895 | Intermediate Similarity | NPD4967 | Phase 2 |
0.7895 | Intermediate Similarity | NPD4965 | Approved |
0.7883 | Intermediate Similarity | NPD4908 | Phase 1 |
0.7803 | Intermediate Similarity | NPD1357 | Approved |
0.7786 | Intermediate Similarity | NPD1558 | Phase 1 |
0.7786 | Intermediate Similarity | NPD4060 | Phase 1 |
0.7785 | Intermediate Similarity | NPD7228 | Approved |
0.7778 | Intermediate Similarity | NPD2982 | Phase 2 |
0.7778 | Intermediate Similarity | NPD2983 | Phase 2 |
0.777 | Intermediate Similarity | NPD4907 | Clinical (unspecified phase) |
0.7761 | Intermediate Similarity | NPD1610 | Phase 2 |
0.7755 | Intermediate Similarity | NPD6143 | Clinical (unspecified phase) |
0.7724 | Intermediate Similarity | NPD4236 | Phase 3 |
0.7724 | Intermediate Similarity | NPD4237 | Approved |
0.7708 | Intermediate Similarity | NPD7266 | Discontinued |
0.7704 | Intermediate Similarity | NPD2981 | Phase 2 |
0.7697 | Intermediate Similarity | NPD1934 | Approved |
0.7697 | Intermediate Similarity | NPD37 | Approved |
0.7681 | Intermediate Similarity | NPD3018 | Phase 2 |
0.7647 | Intermediate Similarity | NPD3600 | Clinical (unspecified phase) |
0.7638 | Intermediate Similarity | NPD2684 | Approved |
0.7634 | Intermediate Similarity | NPD7157 | Approved |
0.7606 | Intermediate Similarity | NPD5735 | Approved |
0.7603 | Intermediate Similarity | NPD6674 | Discontinued |
0.7603 | Intermediate Similarity | NPD3060 | Approved |
0.7603 | Intermediate Similarity | NPD5698 | Clinical (unspecified phase) |
0.7586 | Intermediate Similarity | NPD2029 | Clinical (unspecified phase) |
0.7569 | Intermediate Similarity | NPD5588 | Approved |
0.7551 | Intermediate Similarity | NPD4109 | Clinical (unspecified phase) |
0.7551 | Intermediate Similarity | NPD6331 | Phase 2 |
0.7551 | Intermediate Similarity | NPD4110 | Phase 3 |
0.7548 | Intermediate Similarity | NPD3882 | Suspended |
0.7538 | Intermediate Similarity | NPD7843 | Approved |
0.7532 | Intermediate Similarity | NPD2977 | Approved |
0.7532 | Intermediate Similarity | NPD2978 | Approved |
0.7532 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.7519 | Intermediate Similarity | NPD5536 | Phase 2 |
0.7517 | Intermediate Similarity | NPD2161 | Phase 2 |
0.75 | Intermediate Similarity | NPD4538 | Approved |
0.75 | Intermediate Similarity | NPD5307 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD4536 | Approved |
0.75 | Intermediate Similarity | NPD4537 | Clinical (unspecified phase) |
0.7483 | Intermediate Similarity | NPD6355 | Discontinued |
0.7468 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7466 | Intermediate Similarity | NPD1375 | Discontinued |
0.7463 | Intermediate Similarity | NPD1548 | Phase 1 |
0.745 | Intermediate Similarity | NPD5058 | Phase 3 |
0.7419 | Intermediate Similarity | NPD3020 | Approved |
0.7419 | Intermediate Similarity | NPD2801 | Approved |
0.7413 | Intermediate Similarity | NPD2238 | Phase 2 |
0.741 | Intermediate Similarity | NPD3094 | Phase 2 |
0.741 | Intermediate Similarity | NPD8055 | Clinical (unspecified phase) |
0.7394 | Intermediate Similarity | NPD5111 | Phase 2 |
0.7394 | Intermediate Similarity | NPD5109 | Approved |
0.7394 | Intermediate Similarity | NPD5110 | Phase 2 |
0.7391 | Intermediate Similarity | NPD4749 | Approved |
0.7375 | Intermediate Similarity | NPD7184 | Clinical (unspecified phase) |
0.7372 | Intermediate Similarity | NPD1091 | Approved |
0.7368 | Intermediate Similarity | NPD6671 | Approved |
0.7365 | Intermediate Similarity | NPD5177 | Phase 3 |
0.7361 | Intermediate Similarity | NPD3657 | Discovery |
0.7357 | Intermediate Similarity | NPD6584 | Phase 3 |
0.7351 | Intermediate Similarity | NPD4123 | Phase 3 |
0.7347 | Intermediate Similarity | NPD5762 | Approved |
0.7347 | Intermediate Similarity | NPD5763 | Approved |
0.7346 | Intermediate Similarity | NPD3818 | Discontinued |
0.7344 | Intermediate Similarity | NPD968 | Approved |
0.7343 | Intermediate Similarity | NPD2674 | Phase 3 |
0.7338 | Intermediate Similarity | NPD8651 | Approved |
0.7329 | Intermediate Similarity | NPD5960 | Phase 3 |
0.7329 | Intermediate Similarity | NPD6166 | Phase 2 |
0.7329 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.7329 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.7325 | Intermediate Similarity | NPD4868 | Clinical (unspecified phase) |
0.7324 | Intermediate Similarity | NPD7095 | Approved |
0.7324 | Intermediate Similarity | NPD4625 | Phase 3 |
0.732 | Intermediate Similarity | NPD1653 | Approved |
0.7315 | Intermediate Similarity | NPD4628 | Phase 3 |
0.731 | Intermediate Similarity | NPD6653 | Approved |
0.7303 | Intermediate Similarity | NPD5261 | Clinical (unspecified phase) |
0.7287 | Intermediate Similarity | NPD290 | Approved |
0.7273 | Intermediate Similarity | NPD3145 | Approved |
0.7273 | Intermediate Similarity | NPD3144 | Approved |
0.7273 | Intermediate Similarity | NPD6410 | Clinical (unspecified phase) |
0.7273 | Intermediate Similarity | NPD6055 | Clinical (unspecified phase) |
0.7273 | Intermediate Similarity | NPD7240 | Approved |
0.7267 | Intermediate Similarity | NPD2677 | Approved |
0.7267 | Intermediate Similarity | NPD6190 | Approved |
0.7266 | Intermediate Similarity | NPD5327 | Phase 3 |
0.7261 | Intermediate Similarity | NPD2560 | Approved |
0.7261 | Intermediate Similarity | NPD6374 | Clinical (unspecified phase) |
0.7261 | Intermediate Similarity | NPD2563 | Approved |
0.7254 | Intermediate Similarity | NPD5752 | Clinical (unspecified phase) |
0.7248 | Intermediate Similarity | NPD4162 | Approved |
0.7246 | Intermediate Similarity | NPD7090 | Clinical (unspecified phase) |
0.7246 | Intermediate Similarity | NPD3092 | Approved |
0.7237 | Intermediate Similarity | NPD4160 | Clinical (unspecified phase) |
0.7234 | Intermediate Similarity | NPD6917 | Clinical (unspecified phase) |
0.7226 | Intermediate Similarity | NPD5846 | Approved |
0.7226 | Intermediate Similarity | NPD4675 | Approved |
0.7226 | Intermediate Similarity | NPD5126 | Approved |
0.7226 | Intermediate Similarity | NPD5125 | Phase 3 |
0.7226 | Intermediate Similarity | NPD4678 | Approved |
0.7226 | Intermediate Similarity | NPD6516 | Phase 2 |
0.7222 | Intermediate Similarity | NPD27 | Approved |
0.7222 | Intermediate Similarity | NPD6233 | Phase 2 |
0.7222 | Intermediate Similarity | NPD2489 | Approved |
0.7222 | Intermediate Similarity | NPD1726 | Clinical (unspecified phase) |
0.7219 | Intermediate Similarity | NPD7124 | Phase 2 |
0.7214 | Intermediate Similarity | NPD6696 | Suspended |
0.7211 | Intermediate Similarity | NPD6028 | Clinical (unspecified phase) |
0.7211 | Intermediate Similarity | NPD6029 | Clinical (unspecified phase) |
0.7208 | Intermediate Similarity | NPD4210 | Discontinued |
0.7197 | Intermediate Similarity | NPD5772 | Approved |
0.7197 | Intermediate Similarity | NPD5773 | Approved |
0.7194 | Intermediate Similarity | NPD2230 | Approved |
0.7194 | Intermediate Similarity | NPD2235 | Phase 2 |
0.7194 | Intermediate Similarity | NPD1608 | Approved |
0.7194 | Intermediate Similarity | NPD2233 | Approved |
0.7194 | Intermediate Similarity | NPD2231 | Phase 2 |
0.7194 | Intermediate Similarity | NPD2232 | Approved |
0.7192 | Intermediate Similarity | NPD6353 | Approved |
0.719 | Intermediate Similarity | NPD52 | Approved |
0.719 | Intermediate Similarity | NPD7527 | Clinical (unspecified phase) |
0.719 | Intermediate Similarity | NPD7526 | Approved |
0.7188 | Intermediate Similarity | NPD5494 | Approved |
0.7186 | Intermediate Similarity | NPD7312 | Approved |
0.7186 | Intermediate Similarity | NPD7313 | Approved |
0.7186 | Intermediate Similarity | NPD7311 | Approved |
0.7186 | Intermediate Similarity | NPD7310 | Approved |
0.7183 | Intermediate Similarity | NPD9494 | Approved |
0.7177 | Intermediate Similarity | NPD2860 | Approved |
0.7177 | Intermediate Similarity | NPD2859 | Approved |
0.7172 | Intermediate Similarity | NPD4140 | Approved |
0.7172 | Intermediate Similarity | NPD5837 | Clinical (unspecified phase) |
0.7171 | Intermediate Similarity | NPD1511 | Approved |
0.7171 | Intermediate Similarity | NPD4357 | Discontinued |
0.717 | Intermediate Similarity | NPD7975 | Clinical (unspecified phase) |
0.7169 | Intermediate Similarity | NPD7685 | Pre-registration |
0.7165 | Intermediate Similarity | NPD291 | Approved |
0.7161 | Intermediate Similarity | NPD4005 | Discontinued |
0.716 | Intermediate Similarity | NPD2969 | Approved |
0.716 | Intermediate Similarity | NPD2970 | Approved |
0.7153 | Intermediate Similarity | NPD6798 | Discontinued |
0.7152 | Intermediate Similarity | NPD7074 | Phase 3 |
0.7152 | Intermediate Similarity | NPD5241 | Discontinued |
0.7143 | Intermediate Similarity | NPD6583 | Phase 3 |
0.7143 | Intermediate Similarity | NPD7309 | Approved |
0.7143 | Intermediate Similarity | NPD6582 | Phase 2 |
0.7143 | Intermediate Similarity | NPD6895 | Approved |
0.7143 | Intermediate Similarity | NPD6896 | Approved |
0.7114 | Intermediate Similarity | NPD6006 | Clinical (unspecified phase) |
0.7114 | Intermediate Similarity | NPD3540 | Phase 1 |
0.7114 | Intermediate Similarity | NPD6004 | Phase 3 |
0.7114 | Intermediate Similarity | NPD6005 | Phase 3 |
0.7114 | Intermediate Similarity | NPD6002 | Phase 3 |
0.7114 | Intermediate Similarity | NPD6003 | Clinical (unspecified phase) |
0.7113 | Intermediate Similarity | NPD4624 | Approved |
0.7101 | Intermediate Similarity | NPD2667 | Approved |
0.7101 | Intermediate Similarity | NPD2668 | Approved |
0.7099 | Intermediate Similarity | NPD3051 | Approved |
0.7097 | Intermediate Similarity | NPD2933 | Approved |
0.7097 | Intermediate Similarity | NPD9296 | Approved |
0.7097 | Intermediate Similarity | NPD3687 | Approved |
0.7097 | Intermediate Similarity | NPD2934 | Approved |
0.7097 | Intermediate Similarity | NPD3686 | Approved |
0.7091 | Intermediate Similarity | NPD7054 | Approved |
0.7089 | Intermediate Similarity | NPD6818 | Clinical (unspecified phase) |
0.7086 | Intermediate Similarity | NPD6658 | Clinical (unspecified phase) |
0.7083 | Intermediate Similarity | NPD4578 | Approved |
0.7083 | Intermediate Similarity | NPD4577 | Approved |
0.708 | Intermediate Similarity | NPD3091 | Approved |
0.708 | Intermediate Similarity | NPD1182 | Approved |
0.7078 | Intermediate Similarity | NPD1512 | Approved |
0.7071 | Intermediate Similarity | NPD1840 | Phase 2 |
0.7067 | Intermediate Similarity | NPD7037 | Approved |
0.7059 | Intermediate Similarity | NPD4663 | Approved |
0.7055 | Intermediate Similarity | NPD3062 | Approved |
0.7055 | Intermediate Similarity | NPD3059 | Approved |
0.7055 | Intermediate Similarity | NPD3061 | Approved |
0.7048 | Intermediate Similarity | NPD7472 | Approved |
0.7047 | Intermediate Similarity | NPD3539 | Phase 1 |
0.7047 | Intermediate Similarity | NPD2438 | Suspended |
0.7045 | Intermediate Similarity | NPD5451 | 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.