Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 17782.8 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | 1689 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 59929.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 33.4 | 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 NPC328688 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 |
---|---|---|
0.7895 | Intermediate Similarity | NPC152773 |
0.7143 | Intermediate Similarity | NPC106054 |
0.6364 | Remote Similarity | NPC61373 |
0.619 | Remote Similarity | NPC211453 |
0.6087 | Remote Similarity | NPC110344 |
0.6087 | Remote Similarity | NPC88839 |
0.6087 | Remote Similarity | NPC83726 |
0.6087 | Remote Similarity | NPC299484 |
0.6087 | Remote Similarity | NPC83723 |
0.6 | Remote Similarity | NPC35155 |
0.6 | Remote Similarity | NPC190797 |
0.5909 | Remote Similarity | NPC163707 |
0.5909 | Remote Similarity | NPC43196 |
0.5909 | Remote Similarity | NPC147212 |
0.5909 | Remote Similarity | NPC327092 |
0.5862 | Remote Similarity | NPC228727 |
0.5833 | Remote Similarity | NPC39977 |
0.5833 | Remote Similarity | NPC133819 |
0.5833 | Remote Similarity | NPC208021 |
0.5833 | Remote Similarity | NPC8187 |
0.5769 | Remote Similarity | NPC201132 |
0.5769 | Remote Similarity | NPC127134 |
0.5652 | Remote Similarity | NPC141986 |
0.5652 | Remote Similarity | NPC294703 |
0.56 | Remote Similarity | NPC58351 |
0.56 | Remote Similarity | NPC87529 |
0.56 | Remote Similarity | NPC256186 |
0.56 | Remote Similarity | NPC84750 |
0.56 | Remote Similarity | NPC110107 |
0.56 | Remote Similarity | NPC245688 |
0.56 | Remote Similarity | NPC91093 |
0.56 | Remote Similarity | NPC23071 |
0.56 | Remote Similarity | NPC94144 |
0.56 | Remote Similarity | NPC8368 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC328688 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 |
---|---|---|---|
0.6842 | Remote Similarity | NPD8547 | Phase 2 |
0.6538 | Remote Similarity | NPD8970 | Approved |
0.6538 | Remote Similarity | NPD125 | Approved |
0.6 | Remote Similarity | NPD8956 | Approved |
0.5909 | Remote Similarity | NPD8224 | Approved |
0.5769 | Remote Similarity | NPD8989 | Approved |
0.5714 | Remote Similarity | NPD9191 | Approved |
PubChem CID   | 15413 |
ChEMBL   | CHEMBL1452799 |
ZINC   |
Molecular Weight:   | 88.09 |
ALogP:   | 0.9818 |
MLogP:   | 1.9 |
XLogP:   | 1.32 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 9.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 6 |