Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29545 | Capsici fructus | NA | NA | NA | TCMSP* | |||
NPO29679 | Lycii fructus | NA | NA | NA | TCMSP* | |||
NPO13103 | Radix angelicae biseratae | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | TM-MC* | |||
NPO6947 | Astilbe chinensis | Species | Saxifragaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 298.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 674.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 3349.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 2985.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 841.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 848.9 | 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 NPC29199 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 | NPC26229 |
0.7083 | Intermediate Similarity | NPC77249 |
0.7083 | Intermediate Similarity | NPC239406 |
0.7083 | Intermediate Similarity | NPC26974 |
0.7083 | Intermediate Similarity | NPC154477 |
0.6667 | Remote Similarity | NPC89422 |
0.6296 | Remote Similarity | NPC234888 |
0.625 | Remote Similarity | NPC227986 |
0.625 | Remote Similarity | NPC64370 |
0.625 | Remote Similarity | NPC278711 |
0.625 | Remote Similarity | NPC136996 |
0.625 | Remote Similarity | NPC302327 |
0.625 | Remote Similarity | NPC273385 |
0.625 | Remote Similarity | NPC82648 |
0.6071 | Remote Similarity | NPC47161 |
0.5833 | Remote Similarity | NPC224874 |
0.5667 | Remote Similarity | NPC172053 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC29199 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 |
---|---|---|---|
NPD |
PubChem CID   | 18815 |
ChEMBL   | CHEMBL3187568 |
ZINC   |
Molecular Weight:   | 288.26 |
ALogP:   | -3.8008 |
MLogP:   | 3.33 |
XLogP:   | 10.291 |
# Rotatable Bonds:   | 18 |
Polar Surface Area:   | 0 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 19 |