Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2820 | Organism | Cryphonectria parasitica | Cryphonectria parasitica | IZ | = | 3 | mm | PubChem BioAssay data set |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 2 | % | 23819871 |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 18 | % | 23819871 |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 4 | % | 23819871 |
NPT2820 | Organism | Cryphonectria parasitica | Cryphonectria parasitica | IZ | = | 10 | mm | 16038534 |
NPT2820 | Organism | Cryphonectria parasitica | Cryphonectria parasitica | IZ | = | 7 | mm | 16038534 |
NPT2820 | Organism | Cryphonectria parasitica | Cryphonectria parasitica | IZ | = | 14 | mm | 17988094 |
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 NPC290188 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 |
---|---|---|
0.7308 | Intermediate Similarity | NPC318463 |
0.7188 | Intermediate Similarity | NPC260324 |
0.6667 | Remote Similarity | NPC319972 |
0.6486 | Remote Similarity | NPC33721 |
0.6296 | Remote Similarity | NPC85447 |
0.6053 | Remote Similarity | NPC327250 |
0.6 | Remote Similarity | NPC166294 |
0.5946 | Remote Similarity | NPC69179 |
0.5882 | Remote Similarity | NPC60250 |
0.5714 | Remote Similarity | NPC328698 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC290188 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
PubChem CID   | 12263 |
ChEMBL   | CHEMBL18986 |
ZINC   |
Molecular Weight:   | 101.05 |
ALogP:   | -0.8315 |
MLogP:   | 1.57 |
XLogP:   | 0.238 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 49.66 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |