Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4788 | Individual Protein | Aldehyde dehydrogenase 1A1 | Rattus norvegicus | Activity | = | 3.9 | % | 6541256 |
NPT2 | Others | Unspecified | Inhibition | = | 43 | % | 458796 | |
NPT2 | Others | Unspecified | Inhibition | = | 45 | % | 458796 | |
NPT2 | Others | Unspecified | Inhibition | = | 32 | % | 458796 |
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 NPC322425 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 |
---|---|---|
0.7222 | Intermediate Similarity | NPC114586 |
0.7 | Intermediate Similarity | NPC1502 |
0.6842 | Remote Similarity | NPC146289 |
0.6667 | Remote Similarity | NPC237869 |
0.619 | Remote Similarity | NPC34153 |
0.6087 | Remote Similarity | NPC37479 |
0.5833 | Remote Similarity | NPC133819 |
0.5652 | Remote Similarity | NPC158440 |
0.56 | Remote Similarity | NPC164646 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC322425 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 |
Molecular Weight:   | 54.01 |
ALogP:   | 0.5725 |
MLogP:   | 1.68 |
XLogP:   | 0.276 |
# Rotatable Bonds:   | 0 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 4 |