Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Ratio IC50 | = | 1.9 | 11421736 | ||
NPT1665 | Individual Protein | Cyclooxygenase-1 | Bos taurus | IC50 | = | 84000 | nM | 11421736 |
NPT325 | Individual Protein | Cyclooxygenase-2 | Ovis aries | IC50 | = | 160000 | nM | 11421736 |
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 NPC477776 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 |
---|---|---|
0.9149 | High Similarity | NPC477777 |
0.8958 | High Similarity | NPC477779 |
0.6939 | Remote Similarity | NPC270796 |
0.6667 | Remote Similarity | NPC117572 |
0.6415 | Remote Similarity | NPC91495 |
0.6327 | Remote Similarity | NPC123357 |
0.6327 | Remote Similarity | NPC8270 |
0.6296 | Remote Similarity | NPC477778 |
0.6296 | Remote Similarity | NPC5413 |
0.6296 | Remote Similarity | NPC149821 |
0.625 | Remote Similarity | NPC226511 |
0.6226 | Remote Similarity | NPC308331 |
0.6226 | Remote Similarity | NPC42304 |
0.6222 | Remote Similarity | NPC14778 |
0.6207 | Remote Similarity | NPC317548 |
0.62 | Remote Similarity | NPC221250 |
0.6182 | Remote Similarity | NPC59051 |
0.6154 | Remote Similarity | NPC6963 |
0.6154 | Remote Similarity | NPC304079 |
0.6111 | Remote Similarity | NPC207292 |
0.6078 | Remote Similarity | NPC187922 |
0.6071 | Remote Similarity | NPC284212 |
0.6071 | Remote Similarity | NPC43053 |
0.6071 | Remote Similarity | NPC48162 |
0.5965 | Remote Similarity | NPC92114 |
0.5862 | Remote Similarity | NPC70387 |
0.5862 | Remote Similarity | NPC145235 |
0.5862 | Remote Similarity | NPC1813 |
0.5862 | Remote Similarity | NPC36061 |
0.5862 | Remote Similarity | NPC139029 |
0.5862 | Remote Similarity | NPC477781 |
0.5862 | Remote Similarity | NPC321062 |
0.5862 | Remote Similarity | NPC294548 |
0.5862 | Remote Similarity | NPC477780 |
0.5789 | Remote Similarity | NPC28205 |
0.5789 | Remote Similarity | NPC178586 |
0.5769 | Remote Similarity | NPC57923 |
0.5763 | Remote Similarity | NPC32467 |
0.5763 | Remote Similarity | NPC87564 |
0.5763 | Remote Similarity | NPC6095 |
0.5763 | Remote Similarity | NPC290563 |
0.5763 | Remote Similarity | NPC25417 |
0.5763 | Remote Similarity | NPC424 |
0.5763 | Remote Similarity | NPC261831 |
0.5763 | Remote Similarity | NPC322461 |
0.5763 | Remote Similarity | NPC85813 |
0.5763 | Remote Similarity | NPC154245 |
0.5763 | Remote Similarity | NPC88966 |
0.5763 | Remote Similarity | NPC281972 |
0.5714 | Remote Similarity | NPC207815 |
0.569 | Remote Similarity | NPC281245 |
0.569 | Remote Similarity | NPC303765 |
0.569 | Remote Similarity | NPC129458 |
0.5682 | Remote Similarity | NPC319333 |
0.5667 | Remote Similarity | NPC473863 |
0.5667 | Remote Similarity | NPC274290 |
0.5636 | Remote Similarity | NPC197467 |
0.5636 | Remote Similarity | NPC128280 |
0.5614 | Remote Similarity | NPC221467 |
0.5614 | Remote Similarity | NPC224227 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC477776 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 |
---|---|---|---|
0.6939 | Remote Similarity | NPD5326 | Phase 3 |
0.6667 | Remote Similarity | NPD39 | Approved |
0.6667 | Remote Similarity | NPD4222 | Approved |
0.6296 | Remote Similarity | NPD3173 | Approved |
0.6296 | Remote Similarity | NPD4220 | Pre-registration |
0.6154 | Remote Similarity | NPD6096 | Approved |
0.6154 | Remote Similarity | NPD6097 | Approved |
0.6038 | Remote Similarity | NPD3174 | Discontinued |
0.6034 | Remote Similarity | NPD539 | Approved |
0.5862 | Remote Similarity | NPD3172 | Approved |
0.5818 | Remote Similarity | NPD5343 | Approved |
0.5763 | Remote Similarity | NPD4266 | Approved |
0.5763 | Remote Similarity | NPD3195 | Phase 2 |
0.5763 | Remote Similarity | NPD3194 | Approved |
0.5763 | Remote Similarity | NPD3196 | Approved |
PubChem CID   | 44559940 |
ChEMBL   | CHEMBL447250 |
ZINC   |
Molecular Weight:   | 294.17 |
ALogP:   | 1.6943 |
MLogP:   | 3 |
XLogP:   | 6.475 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 62.6 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 20 |