Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10 | ug/ml | 24601675 |
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 NPC473306 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 |
---|---|---|
0.8657 | High Similarity | NPC271000 |
0.8243 | Intermediate Similarity | NPC52781 |
0.7945 | Intermediate Similarity | NPC477423 |
0.7467 | Intermediate Similarity | NPC473453 |
0.7432 | Intermediate Similarity | NPC477431 |
0.7183 | Intermediate Similarity | NPC477430 |
0.6962 | Remote Similarity | NPC477422 |
0.6875 | Remote Similarity | NPC477421 |
0.6795 | Remote Similarity | NPC325098 |
0.6667 | Remote Similarity | NPC316572 |
0.6591 | Remote Similarity | NPC477428 |
0.6582 | Remote Similarity | NPC477429 |
0.6582 | Remote Similarity | NPC323677 |
0.6528 | Remote Similarity | NPC26310 |
0.6486 | Remote Similarity | NPC477424 |
0.5977 | Remote Similarity | NPC473947 |
0.5955 | Remote Similarity | NPC215175 |
0.5952 | Remote Similarity | NPC77724 |
0.587 | Remote Similarity | NPC247826 |
0.5824 | Remote Similarity | NPC282598 |
0.5806 | Remote Similarity | NPC477388 |
0.5806 | Remote Similarity | NPC477386 |
0.5647 | Remote Similarity | NPC55652 |
0.5625 | Remote Similarity | NPC471460 |
0.5618 | Remote Similarity | NPC31330 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC473306 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   | 23643841 |
ChEMBL   | CHEMBL399126 |
ZINC   |
Molecular Weight:   | 346.03 |
ALogP:   | 1.6981 |
MLogP:   | 2.67 |
XLogP:   | 3.91 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 18.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 19 |