Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Ratio IC50 | = | 1.4 | 11421736 | ||
NPT1665 | Individual Protein | Cyclooxygenase-1 | Bos taurus | IC50 | = | 81000 | nM | 11421736 |
NPT325 | Individual Protein | Cyclooxygenase-2 | Ovis aries | IC50 | = | 120000 | 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 NPC477779 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 |
---|---|---|
0.9792 | High Similarity | NPC477777 |
0.8958 | High Similarity | NPC477776 |
0.7959 | Intermediate Similarity | NPC270796 |
0.7647 | Intermediate Similarity | NPC117572 |
0.7358 | Intermediate Similarity | NPC91495 |
0.7222 | Intermediate Similarity | NPC149821 |
0.7222 | Intermediate Similarity | NPC5413 |
0.7091 | Intermediate Similarity | NPC59051 |
0.7037 | Intermediate Similarity | NPC207292 |
0.6964 | Remote Similarity | NPC48162 |
0.6852 | Remote Similarity | NPC42304 |
0.6842 | Remote Similarity | NPC92114 |
0.6724 | Remote Similarity | NPC1813 |
0.6724 | Remote Similarity | NPC36061 |
0.6724 | Remote Similarity | NPC321062 |
0.6724 | Remote Similarity | NPC70387 |
0.6724 | Remote Similarity | NPC139029 |
0.6724 | Remote Similarity | NPC294548 |
0.6667 | Remote Similarity | NPC178586 |
0.6667 | Remote Similarity | NPC28205 |
0.6667 | Remote Similarity | NPC284212 |
0.661 | Remote Similarity | NPC88966 |
0.661 | Remote Similarity | NPC424 |
0.661 | Remote Similarity | NPC281972 |
0.661 | Remote Similarity | NPC154245 |
0.661 | Remote Similarity | NPC87564 |
0.661 | Remote Similarity | NPC6095 |
0.661 | Remote Similarity | NPC25417 |
0.661 | Remote Similarity | NPC32467 |
0.661 | Remote Similarity | NPC290563 |
0.661 | Remote Similarity | NPC322461 |
0.661 | Remote Similarity | NPC85813 |
0.661 | Remote Similarity | NPC261831 |
0.6552 | Remote Similarity | NPC303765 |
0.6552 | Remote Similarity | NPC129458 |
0.6552 | Remote Similarity | NPC281245 |
0.65 | Remote Similarity | NPC473863 |
0.65 | Remote Similarity | NPC274290 |
0.65 | Remote Similarity | NPC317548 |
0.6441 | Remote Similarity | NPC10081 |
0.6441 | Remote Similarity | NPC225066 |
0.6393 | Remote Similarity | NPC477201 |
0.6393 | Remote Similarity | NPC18951 |
0.6393 | Remote Similarity | NPC325977 |
0.6393 | Remote Similarity | NPC327388 |
0.6393 | Remote Similarity | NPC187777 |
0.6393 | Remote Similarity | NPC179764 |
0.6333 | Remote Similarity | NPC137538 |
0.629 | Remote Similarity | NPC225929 |
0.629 | Remote Similarity | NPC323597 |
0.629 | Remote Similarity | NPC211752 |
0.629 | Remote Similarity | NPC323436 |
0.629 | Remote Similarity | NPC323498 |
0.625 | Remote Similarity | NPC14778 |
0.623 | Remote Similarity | NPC54766 |
0.623 | Remote Similarity | NPC45626 |
0.623 | Remote Similarity | NPC52264 |
0.6207 | Remote Similarity | NPC224227 |
0.619 | Remote Similarity | NPC329819 |
0.6154 | Remote Similarity | NPC329545 |
0.6102 | Remote Similarity | NPC43053 |
0.6102 | Remote Similarity | NPC262968 |
0.6094 | Remote Similarity | NPC106851 |
0.6094 | Remote Similarity | NPC329550 |
0.6094 | Remote Similarity | NPC322186 |
0.6094 | Remote Similarity | NPC274927 |
0.6094 | Remote Similarity | NPC322002 |
0.6094 | Remote Similarity | NPC329249 |
0.6066 | Remote Similarity | NPC474127 |
0.6038 | Remote Similarity | NPC123357 |
0.6 | Remote Similarity | NPC81896 |
0.6 | Remote Similarity | NPC321919 |
0.6 | Remote Similarity | NPC243532 |
0.6 | Remote Similarity | NPC328311 |
0.6 | Remote Similarity | NPC327112 |
0.6 | Remote Similarity | NPC122521 |
0.6 | Remote Similarity | NPC235242 |
0.6 | Remote Similarity | NPC174447 |
0.6 | Remote Similarity | NPC251042 |
0.5968 | Remote Similarity | NPC67367 |
0.5965 | Remote Similarity | NPC87137 |
0.5965 | Remote Similarity | NPC308331 |
0.5938 | Remote Similarity | NPC267817 |
0.5932 | Remote Similarity | NPC225974 |
0.5926 | Remote Similarity | NPC221250 |
0.5909 | Remote Similarity | NPC328776 |
0.5909 | Remote Similarity | NPC201939 |
0.5909 | Remote Similarity | NPC40082 |
0.5909 | Remote Similarity | NPC320305 |
0.5909 | Remote Similarity | NPC321838 |
0.5902 | Remote Similarity | NPC39633 |
0.5902 | Remote Similarity | NPC139545 |
0.5902 | Remote Similarity | NPC145235 |
0.5902 | Remote Similarity | NPC309606 |
0.5902 | Remote Similarity | NPC284224 |
0.5893 | Remote Similarity | NPC304079 |
0.5893 | Remote Similarity | NPC6963 |
0.5862 | Remote Similarity | NPC180534 |
0.5846 | Remote Similarity | NPC318306 |
0.5821 | Remote Similarity | NPC322457 |
0.5818 | Remote Similarity | NPC187922 |
0.5806 | Remote Similarity | NPC300121 |
0.5781 | Remote Similarity | NPC472445 |
0.5781 | Remote Similarity | NPC283502 |
0.5763 | Remote Similarity | NPC267110 |
0.5763 | Remote Similarity | NPC477778 |
0.5763 | Remote Similarity | NPC163345 |
0.5763 | Remote Similarity | NPC135698 |
0.5763 | Remote Similarity | NPC207815 |
0.5741 | Remote Similarity | NPC8270 |
0.5738 | Remote Similarity | NPC18357 |
0.5738 | Remote Similarity | NPC151919 |
0.5735 | Remote Similarity | NPC476658 |
0.5735 | Remote Similarity | NPC328089 |
0.5735 | Remote Similarity | NPC68343 |
0.5735 | Remote Similarity | NPC470320 |
0.5714 | Remote Similarity | NPC474672 |
0.5714 | Remote Similarity | NPC28779 |
0.5714 | Remote Similarity | NPC319021 |
0.5714 | Remote Similarity | NPC128061 |
0.5714 | Remote Similarity | NPC223677 |
0.5714 | Remote Similarity | NPC228473 |
0.5714 | Remote Similarity | NPC200845 |
0.5714 | Remote Similarity | NPC477984 |
0.5714 | Remote Similarity | NPC10316 |
0.5692 | Remote Similarity | NPC471619 |
0.5692 | Remote Similarity | NPC325734 |
0.5692 | Remote Similarity | NPC254095 |
0.5692 | Remote Similarity | NPC34416 |
0.5672 | Remote Similarity | NPC125312 |
0.5672 | Remote Similarity | NPC174560 |
0.5672 | Remote Similarity | NPC273614 |
0.5672 | Remote Similarity | NPC113293 |
0.5667 | Remote Similarity | NPC27264 |
0.5667 | Remote Similarity | NPC221467 |
0.566 | Remote Similarity | NPC226511 |
0.566 | Remote Similarity | NPC180840 |
0.566 | Remote Similarity | NPC155880 |
0.566 | Remote Similarity | NPC34873 |
0.566 | Remote Similarity | NPC40434 |
0.566 | Remote Similarity | NPC92863 |
0.5652 | Remote Similarity | NPC255863 |
0.5652 | Remote Similarity | NPC317881 |
0.5652 | Remote Similarity | NPC476657 |
0.5652 | Remote Similarity | NPC478098 |
0.5652 | Remote Similarity | NPC320642 |
0.5652 | Remote Similarity | NPC326268 |
0.5652 | Remote Similarity | NPC476655 |
0.5652 | Remote Similarity | NPC476654 |
0.5652 | Remote Similarity | NPC478099 |
0.5652 | Remote Similarity | NPC323045 |
0.5652 | Remote Similarity | NPC318420 |
0.5652 | Remote Similarity | NPC245947 |
0.5652 | Remote Similarity | NPC136164 |
0.5647 | Remote Similarity | NPC319473 |
0.5645 | Remote Similarity | NPC477781 |
0.5645 | Remote Similarity | NPC217188 |
0.5645 | Remote Similarity | NPC71761 |
0.5645 | Remote Similarity | NPC477780 |
0.5625 | Remote Similarity | NPC82239 |
0.5625 | Remote Similarity | NPC324224 |
0.5625 | Remote Similarity | NPC472808 |
0.5616 | Remote Similarity | NPC66365 |
0.5606 | Remote Similarity | NPC222852 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC477779 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 |
---|---|---|---|
0.7959 | Intermediate Similarity | NPD5326 | Phase 3 |
0.7647 | Intermediate Similarity | NPD4222 | Approved |
0.7647 | Intermediate Similarity | NPD39 | Approved |
0.7222 | Intermediate Similarity | NPD3173 | Approved |
0.6792 | Remote Similarity | NPD6096 | Approved |
0.6792 | Remote Similarity | NPD6097 | Approved |
0.6724 | Remote Similarity | NPD3172 | Approved |
0.6667 | Remote Similarity | NPD3174 | Discontinued |
0.661 | Remote Similarity | NPD3195 | Phase 2 |
0.661 | Remote Similarity | NPD4266 | Approved |
0.661 | Remote Similarity | NPD3196 | Approved |
0.661 | Remote Similarity | NPD3194 | Approved |
0.6429 | Remote Similarity | NPD5343 | Approved |
0.619 | Remote Similarity | NPD6109 | Phase 1 |
0.6102 | Remote Similarity | NPD29 | Approved |
0.6102 | Remote Similarity | NPD28 | Approved |
0.6066 | Remote Similarity | NPD539 | Approved |
0.6034 | Remote Similarity | NPD4220 | Pre-registration |
0.6 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD622 | Approved |
0.5833 | Remote Similarity | NPD6927 | Phase 3 |
0.5783 | Remote Similarity | NPD5370 | Suspended |
0.5735 | Remote Similarity | NPD3197 | Phase 1 |
0.5714 | Remote Similarity | NPD9411 | Phase 1 |
0.5647 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD6422 | Discontinued |
PubChem CID   | 44559942 |
ChEMBL   | CHEMBL541729 |
ZINC   |
Molecular Weight:   | 322.20 |
ALogP:   | 2.3913 |
MLogP:   | 3.22 |
XLogP:   | 7.002 |
# Rotatable Bonds:   | 16 |
Polar Surface Area:   | 62.6 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 22 |