Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29545 | Capsici fructus | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT249 | Individual Protein | Glucocorticoid receptor | Homo sapiens | Potency | 2238.7 | nM | PubChem BioAssay data set | |
NPT103 | Individual Protein | Nuclear receptor ROR-gamma | Homo sapiens | Potency | 4216.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 28.6 | 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 NPC43196 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 |
---|---|---|
0.85 | High Similarity | NPC321400 |
0.8182 | Intermediate Similarity | NPC237965 |
0.8182 | Intermediate Similarity | NPC318912 |
0.7826 | Intermediate Similarity | NPC304786 |
0.75 | Intermediate Similarity | NPC317724 |
0.75 | Intermediate Similarity | NPC128335 |
0.72 | Intermediate Similarity | NPC272307 |
0.6957 | Remote Similarity | NPC23508 |
0.6923 | Remote Similarity | NPC238135 |
0.6923 | Remote Similarity | NPC88135 |
0.6818 | Remote Similarity | NPC61373 |
0.68 | Remote Similarity | NPC230452 |
0.68 | Remote Similarity | NPC329496 |
0.6667 | Remote Similarity | NPC232172 |
0.6667 | Remote Similarity | NPC184593 |
0.6667 | Remote Similarity | NPC110107 |
0.6522 | Remote Similarity | NPC308490 |
0.64 | Remote Similarity | NPC41485 |
0.64 | Remote Similarity | NPC3693 |
0.64 | Remote Similarity | NPC32280 |
0.6364 | Remote Similarity | NPC327092 |
0.6364 | Remote Similarity | NPC171090 |
0.625 | Remote Similarity | NPC30787 |
0.625 | Remote Similarity | NPC208021 |
0.625 | Remote Similarity | NPC2419 |
0.6207 | Remote Similarity | NPC281883 |
0.6154 | Remote Similarity | NPC127134 |
0.6154 | Remote Similarity | NPC201132 |
0.6154 | Remote Similarity | NPC166804 |
0.6 | Remote Similarity | NPC8368 |
0.5926 | Remote Similarity | NPC143211 |
0.5926 | Remote Similarity | NPC248233 |
0.5909 | Remote Similarity | NPC328688 |
0.5833 | Remote Similarity | NPC327597 |
0.5833 | Remote Similarity | NPC83726 |
0.5833 | Remote Similarity | NPC217229 |
0.5806 | Remote Similarity | NPC140229 |
0.5769 | Remote Similarity | NPC35155 |
0.5769 | Remote Similarity | NPC140389 |
0.5714 | Remote Similarity | NPC317739 |
0.5714 | Remote Similarity | NPC281943 |
0.5652 | Remote Similarity | NPC37493 |
0.5652 | Remote Similarity | NPC173862 |
0.56 | Remote Similarity | NPC203105 |
0.56 | Remote Similarity | NPC8187 |
0.56 | Remote Similarity | NPC7459 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC43196 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 |
---|---|---|---|
0.8333 | Intermediate Similarity | NPD8547 | Phase 2 |
0.6207 | Remote Similarity | NPD9636 | Phase 2 |
0.6154 | Remote Similarity | NPD8992 | Approved |
0.6154 | Remote Similarity | NPD8989 | Approved |
0.5862 | Remote Similarity | NPD901 | Approved |
0.5714 | Remote Similarity | NPD3216 | Phase 3 |
0.5714 | Remote Similarity | NPD30 | Approved |
PubChem CID   | 12375 |
ChEMBL   | CHEMBL1877517 |
ZINC   |
Molecular Weight:   | 118.10 |
ALogP:   | 0.4204 |
MLogP:   | 1.9 |
XLogP:   | 0.676 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 18.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 8 |