Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29698 | Imperatae rhizoma | NA | NA | NA | TCMSP* | |||
NPO3330 | Capsellae herba | NA | NA | NA | TCMSP* | |||
NPO18195 | Maydis seigma | NA | NA | NA | TCMSP* | |||
NPO28184 | Folium nelumbinis | NA | NA | NA | TCMSP* | |||
NPO29653 | Hippophae fructus | Species | Elaeagnaceae | Eukaryota | TCMSP* | |||
NPO29551 | Mori fructus | NA | NA | NA | TCMSP* | |||
NPO18744 | Verbenae herb | NA | NA | NA | TCMSP* | |||
NPO22337 | Garcinia dulcis | Species | Clusiaceae | Eukaryota | UNPD* | |||
NPO29621 | Portulacae herba | NA | NA | NA | TCMSP* | |||
NPO18845 | Hebeloma spoliatum | Species | Cortinariaceae | Eukaryota | UNPD* | |||
NPO29566 | Choerospondiatis fructus | NA | NA | NA | TCMSP* | |||
NPO13110 | Pyxine endochrysina | Species | Caliciaceae | Eukaryota | UNPD* | |||
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | TCM_Taiwan* | |||
NPO29616 | Polygoni avicularis herba | NA | NA | NA | TCMSP* | |||
NPO15095 | Hippophae rhamnoides | Species | Elaeagnaceae | Eukaryota | TCM_Taiwan* | |||
NPO17732 | Coriolus | Species | Coriolaceae | Eukaryota | TCMSP* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[22308371] |
||
NPO425 | Streptomyces cattleya | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[9573551] |
||
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | TM-MC* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO16931 | Cichorium glandulosum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO18681 | Artemisia scoparia | Species | Asteraceae | Eukaryota | TCM_Taiwan* | |||
NPO9865 | Cichorium intybus | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO19620 | Stemona tuberosa | Species | Stemonaceae | Eukaryota | TCM_Taiwan* | |||
NPO15095 | Hippophae rhamnoides | Species | Elaeagnaceae | Eukaryota | TM-MC* | |||
NPO23017 | Urtica dioica | Species | Urticaceae | Eukaryota | TCM_Taiwan* | |||
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | TM-MC* | |||
NPO28125 | Ephedra equisetina | Species | Ephedraceae | Eukaryota | TCM_Taiwan* | |||
NPO29463 | Pogostemon cablin | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO30744 | Equisetum hiemale | Species | Equisetaceae | Eukaryota | TCM_Taiwan* | |||
NPO9069 | Persicaria tinctoria | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO4011 | Chlamydomonas reinhardtii | Species | Chlamydomonadaceae | Eukaryota |
PMID[25515814] |
|||
NPO28679 | Prunus mume | Species | Rosaceae | Eukaryota | TM-MC* | |||
NPO8832 | Rheum rhaponticum | Species | Polygonaceae | Eukaryota | TCM_Taiwan* | |||
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | TM-MC* | |||
NPO20406 | Croton campestris | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO26650 | Terminalia chebula | Species | Combretaceae | Eukaryota | TM-MC* | |||
NPO16159 | Astragalus basineri | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO19979 | Schisandra glaucescens | Species | Schisandraceae | Eukaryota | UNPD* | |||
NPO22397 | Equiseti hiemalis herba | NA | NA | NA | TCMSP* | |||
NPO1239 | Solibacillus silvestris | Species | Planococcaceae | Bacteria | UNPD* | |||
NPO29679 | Lycii fructus | NA | NA | NA | TCMSP* | |||
NPO10369 | Kansui radix | NA | NA | NA | TCMSP* | |||
NPO29600 | Stemonae radix | NA | NA | NA | TCMSP* | |||
NPO14196 | Cotyledon fimbriata turcz | Species | Crassulaceae | Eukaryota | TCMSP* | |||
NPO12208 | Allii fistulost bulbus | NA | NA | NA | TCMSP* | |||
NPO1228 | Radix rhei et rhizome | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO8624 | Artemisiae scopariae herba | NA | NA | NA | TCMSP* | |||
NPO29609 | Polygoni cuspidati rhizoma et radix | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT36 | Individual Protein | Tyrosine-protein kinase SRC | Homo sapiens | IC50 | > | 40000000 | nM | 14613321 |
NPT622 | Individual Protein | Solute carrier organic anion transporter family member 2B1 | Homo sapiens | Activity | = | 83.9 | % | 12724351 |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 61652.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 61130.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 6917.5 | nM | PubChem BioAssay data set | ||
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 19823.4 | nM | PubChem BioAssay data set |
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 NPC301950 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 |
---|---|---|
0.7083 | Intermediate Similarity | NPC165122 |
0.6296 | Remote Similarity | NPC316272 |
0.625 | Remote Similarity | NPC307812 |
0.6207 | Remote Similarity | NPC329270 |
0.5909 | Remote Similarity | NPC68873 |
0.5909 | Remote Similarity | NPC7922 |
0.5667 | Remote Similarity | NPC212144 |
0.5667 | Remote Similarity | NPC76217 |
0.5667 | Remote Similarity | NPC307739 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC301950 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 |
---|---|---|---|
1.0 | High Similarity | NPD7352 | Approved |
0.6364 | Remote Similarity | NPD7356 | Approved |
0.6364 | Remote Similarity | NPD7357 | Approved |
0.5909 | Remote Similarity | NPD7364 | Approved |
0.5862 | Remote Similarity | NPD54 | Approved |
0.5862 | Remote Similarity | NPD8204 | Approved |
0.5862 | Remote Similarity | NPD55 | Approved |
0.5862 | Remote Similarity | NPD8206 | Approved |
0.5862 | Remote Similarity | NPD8203 | Approved |
0.5667 | Remote Similarity | NPD8205 | Approved |
0.5667 | Remote Similarity | NPD8202 | Approved |
PubChem CID   | 18676629;971;3819775 |
ChEMBL   | CHEMBL146755 |
ZINC   |
Molecular Weight:   | 90.00 |
ALogP:   | -0.4796 |
MLogP:   | 1.24 |
XLogP:   | -0.688 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 74.6 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 6 |