Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25096 | Cucurbitae moschatae semen | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | = | 29092.9 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 29092.9 | nM | PubChem BioAssay data set | ||
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 9285 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 100000 | nM | PubChem BioAssay data set | |
NPT445 | Individual Protein | Peripheral myelin protein 22 | Rattus norvegicus | Potency | 14381.8 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 1188.3 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 1.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | AC50 | 7943.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 59641.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 13333.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 66919 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 44668.4 | 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 NPC95174 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 |
---|---|---|
0.8529 | High Similarity | NPC277333 |
0.8056 | Intermediate Similarity | NPC28394 |
0.8056 | Intermediate Similarity | NPC31557 |
0.7742 | Intermediate Similarity | NPC254685 |
0.6842 | Remote Similarity | NPC111686 |
0.6829 | Remote Similarity | NPC326521 |
0.675 | Remote Similarity | NPC241279 |
0.6552 | Remote Similarity | NPC85447 |
0.6364 | Remote Similarity | NPC61558 |
0.625 | Remote Similarity | NPC275462 |
0.617 | Remote Similarity | NPC261571 |
0.6154 | Remote Similarity | NPC150560 |
0.6042 | Remote Similarity | NPC188341 |
0.6042 | Remote Similarity | NPC49494 |
0.6 | Remote Similarity | NPC319709 |
0.6 | Remote Similarity | NPC289484 |
0.5946 | Remote Similarity | NPC328698 |
0.5806 | Remote Similarity | NPC165568 |
0.5758 | Remote Similarity | NPC213764 |
0.5714 | Remote Similarity | NPC279895 |
0.5625 | Remote Similarity | NPC319110 |
0.5625 | Remote Similarity | NPC52403 |
0.5625 | Remote Similarity | NPC329181 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC95174 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 |
---|---|---|---|
0.7812 | Intermediate Similarity | NPD8794 | Clinical (unspecified phase) |
0.7742 | Intermediate Similarity | NPD8622 | Discontinued |
0.7568 | Intermediate Similarity | NPD9453 | Phase 3 |
0.6364 | Remote Similarity | NPD379 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD3211 | Approved |
0.5833 | Remote Similarity | NPD8613 | Approved |
0.5778 | Remote Similarity | NPD1152 | Phase 2 |
PubChem CID   | 12332 |
ChEMBL   | CHEMBL1523958 |
ZINC   |
Molecular Weight:   | 115.10 |
ALogP:   | -0.8595 |
MLogP:   | 1.9 |
XLogP:   | 2.286 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 44.08 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 8 |