Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT83 | Cell Line | MCF7 | Homo sapiens | ED50 | > | 10 | ug/ml | 20363142 |
NPT139 | Cell Line | HT-29 | Homo sapiens | ED50 | = | 10 | ug/ml | 19548690 |
NPT176 | Organism | Artemia salina | Artemia salina | LC50 | = | 2.9 | ppm | 19473031 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | > | 10 | ug/ml | 12353636 |
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 NPC155880 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 |
---|---|---|
1.0 | High Similarity | NPC92863 |
0.8649 | High Similarity | NPC185839 |
0.8421 | Intermediate Similarity | NPC180840 |
0.8378 | Intermediate Similarity | NPC38497 |
0.8205 | Intermediate Similarity | NPC217923 |
0.814 | Intermediate Similarity | NPC100380 |
0.8 | Intermediate Similarity | NPC113082 |
0.7857 | Intermediate Similarity | NPC301972 |
0.7692 | Intermediate Similarity | NPC220061 |
0.7674 | Intermediate Similarity | NPC25771 |
0.7609 | Intermediate Similarity | NPC15325 |
0.7556 | Intermediate Similarity | NPC324812 |
0.75 | Intermediate Similarity | NPC239754 |
0.75 | Intermediate Similarity | NPC191337 |
0.7447 | Intermediate Similarity | NPC477458 |
0.7442 | Intermediate Similarity | NPC216921 |
0.7442 | Intermediate Similarity | NPC292463 |
0.7391 | Intermediate Similarity | NPC145311 |
0.7333 | Intermediate Similarity | NPC110234 |
0.7333 | Intermediate Similarity | NPC163751 |
0.7333 | Intermediate Similarity | NPC471752 |
0.7333 | Intermediate Similarity | NPC262558 |
0.7333 | Intermediate Similarity | NPC44363 |
0.7333 | Intermediate Similarity | NPC8610 |
0.7273 | Intermediate Similarity | NPC477686 |
0.7273 | Intermediate Similarity | NPC145755 |
0.7273 | Intermediate Similarity | NPC267514 |
0.725 | Intermediate Similarity | NPC24833 |
0.7234 | Intermediate Similarity | NPC474391 |
0.7234 | Intermediate Similarity | NPC32351 |
0.7174 | Intermediate Similarity | NPC91495 |
0.7174 | Intermediate Similarity | NPC91962 |
0.7143 | Intermediate Similarity | NPC37644 |
0.7111 | Intermediate Similarity | NPC474202 |
0.7111 | Intermediate Similarity | NPC474362 |
0.7111 | Intermediate Similarity | NPC117572 |
0.7083 | Intermediate Similarity | NPC27438 |
0.7045 | Intermediate Similarity | NPC106819 |
0.7021 | Intermediate Similarity | NPC5413 |
0.7021 | Intermediate Similarity | NPC149821 |
0.7 | Intermediate Similarity | NPC322461 |
0.6977 | Remote Similarity | NPC270170 |
0.6977 | Remote Similarity | NPC7754 |
0.6977 | Remote Similarity | NPC33489 |
0.6957 | Remote Similarity | NPC195246 |
0.6957 | Remote Similarity | NPC22098 |
0.6957 | Remote Similarity | NPC276009 |
0.6923 | Remote Similarity | NPC12889 |
0.6905 | Remote Similarity | NPC33761 |
0.6889 | Remote Similarity | NPC471753 |
0.6875 | Remote Similarity | NPC59051 |
0.6875 | Remote Similarity | NPC58970 |
0.6875 | Remote Similarity | NPC118788 |
0.6875 | Remote Similarity | NPC224227 |
0.6875 | Remote Similarity | NPC163984 |
0.6875 | Remote Similarity | NPC176819 |
0.6818 | Remote Similarity | NPC287397 |
0.6818 | Remote Similarity | NPC298710 |
0.6818 | Remote Similarity | NPC208936 |
0.6818 | Remote Similarity | NPC67920 |
0.6809 | Remote Similarity | NPC207292 |
0.68 | Remote Similarity | NPC284224 |
0.68 | Remote Similarity | NPC296311 |
0.68 | Remote Similarity | NPC61177 |
0.68 | Remote Similarity | NPC268564 |
0.68 | Remote Similarity | NPC45283 |
0.6757 | Remote Similarity | NPC34671 |
0.6757 | Remote Similarity | NPC155900 |
0.675 | Remote Similarity | NPC269641 |
0.6744 | Remote Similarity | NPC111474 |
0.6744 | Remote Similarity | NPC48930 |
0.6739 | Remote Similarity | NPC166788 |
0.6735 | Remote Similarity | NPC28205 |
0.6735 | Remote Similarity | NPC48162 |
0.6735 | Remote Similarity | NPC64866 |
0.6735 | Remote Similarity | NPC262968 |
0.6731 | Remote Similarity | NPC477201 |
0.6731 | Remote Similarity | NPC325977 |
0.6667 | Remote Similarity | NPC63396 |
0.6667 | Remote Similarity | NPC266979 |
0.6667 | Remote Similarity | NPC130923 |
0.6667 | Remote Similarity | NPC270796 |
0.6667 | Remote Similarity | NPC163345 |
0.6667 | Remote Similarity | NPC267110 |
0.6667 | Remote Similarity | NPC202850 |
0.66 | Remote Similarity | NPC281245 |
0.66 | Remote Similarity | NPC92114 |
0.66 | Remote Similarity | NPC471751 |
0.6596 | Remote Similarity | NPC236355 |
0.6596 | Remote Similarity | NPC42304 |
0.6596 | Remote Similarity | NPC14917 |
0.6596 | Remote Similarity | NPC4079 |
0.6538 | Remote Similarity | NPC275472 |
0.6531 | Remote Similarity | NPC228776 |
0.6531 | Remote Similarity | NPC225974 |
0.6522 | Remote Similarity | NPC114841 |
0.6512 | Remote Similarity | NPC15934 |
0.6486 | Remote Similarity | NPC138325 |
0.6481 | Remote Similarity | NPC311852 |
0.6471 | Remote Similarity | NPC474141 |
0.6471 | Remote Similarity | NPC36061 |
0.6471 | Remote Similarity | NPC39633 |
0.6471 | Remote Similarity | NPC321062 |
0.6471 | Remote Similarity | NPC1813 |
0.6471 | Remote Similarity | NPC294548 |
0.6471 | Remote Similarity | NPC217188 |
0.6471 | Remote Similarity | NPC70387 |
0.6471 | Remote Similarity | NPC309606 |
0.6471 | Remote Similarity | NPC139029 |
0.6471 | Remote Similarity | NPC139545 |
0.6458 | Remote Similarity | NPC471958 |
0.6429 | Remote Similarity | NPC279300 |
0.6415 | Remote Similarity | NPC473733 |
0.6415 | Remote Similarity | NPC327388 |
0.641 | Remote Similarity | NPC151719 |
0.64 | Remote Similarity | NPC178586 |
0.64 | Remote Similarity | NPC284212 |
0.64 | Remote Similarity | NPC234829 |
0.6364 | Remote Similarity | NPC329550 |
0.6364 | Remote Similarity | NPC274927 |
0.6364 | Remote Similarity | NPC12319 |
0.6364 | Remote Similarity | NPC101147 |
0.6364 | Remote Similarity | NPC106851 |
0.6364 | Remote Similarity | NPC123357 |
0.6364 | Remote Similarity | NPC323278 |
0.6364 | Remote Similarity | NPC18205 |
0.6346 | Remote Similarity | NPC32467 |
0.6346 | Remote Similarity | NPC137538 |
0.6346 | Remote Similarity | NPC25417 |
0.6346 | Remote Similarity | NPC6095 |
0.6346 | Remote Similarity | NPC424 |
0.6346 | Remote Similarity | NPC85813 |
0.6346 | Remote Similarity | NPC261831 |
0.6346 | Remote Similarity | NPC88966 |
0.6346 | Remote Similarity | NPC290563 |
0.6346 | Remote Similarity | NPC154245 |
0.6346 | Remote Similarity | NPC281972 |
0.6346 | Remote Similarity | NPC300121 |
0.6346 | Remote Similarity | NPC87564 |
0.6346 | Remote Similarity | NPC189677 |
0.6316 | Remote Similarity | NPC138113 |
0.6296 | Remote Similarity | NPC323498 |
0.6296 | Remote Similarity | NPC267626 |
0.6296 | Remote Similarity | NPC323597 |
0.6296 | Remote Similarity | NPC230823 |
0.6296 | Remote Similarity | NPC193695 |
0.6296 | Remote Similarity | NPC49575 |
0.6296 | Remote Similarity | NPC115385 |
0.6296 | Remote Similarity | NPC323436 |
0.6296 | Remote Similarity | NPC211752 |
0.6296 | Remote Similarity | NPC55004 |
0.6279 | Remote Similarity | NPC34873 |
0.6279 | Remote Similarity | NPC40434 |
0.6275 | Remote Similarity | NPC216407 |
0.6275 | Remote Similarity | NPC129458 |
0.6275 | Remote Similarity | NPC151919 |
0.625 | Remote Similarity | NPC174447 |
0.625 | Remote Similarity | NPC229252 |
0.625 | Remote Similarity | NPC122521 |
0.625 | Remote Similarity | NPC143857 |
0.625 | Remote Similarity | NPC235242 |
0.625 | Remote Similarity | NPC251042 |
0.6226 | Remote Similarity | NPC28779 |
0.6226 | Remote Similarity | NPC223677 |
0.6226 | Remote Similarity | NPC200845 |
0.6226 | Remote Similarity | NPC128061 |
0.6226 | Remote Similarity | NPC474672 |
0.6226 | Remote Similarity | NPC274290 |
0.6226 | Remote Similarity | NPC10316 |
0.6226 | Remote Similarity | NPC473863 |
0.6226 | Remote Similarity | NPC477984 |
0.6226 | Remote Similarity | NPC228473 |
0.6226 | Remote Similarity | NPC52264 |
0.6222 | Remote Similarity | NPC188596 |
0.62 | Remote Similarity | NPC27264 |
0.62 | Remote Similarity | NPC116906 |
0.62 | Remote Similarity | NPC473487 |
0.62 | Remote Similarity | NPC288381 |
0.62 | Remote Similarity | NPC20934 |
0.619 | Remote Similarity | NPC75204 |
0.6182 | Remote Similarity | NPC30215 |
0.6182 | Remote Similarity | NPC94991 |
0.6182 | Remote Similarity | NPC266295 |
0.6154 | Remote Similarity | NPC225066 |
0.6154 | Remote Similarity | NPC10081 |
0.6154 | Remote Similarity | NPC14002 |
0.6154 | Remote Similarity | NPC23117 |
0.6154 | Remote Similarity | NPC71761 |
0.6154 | Remote Similarity | NPC60288 |
0.614 | Remote Similarity | NPC40082 |
0.6122 | Remote Similarity | NPC216130 |
0.6111 | Remote Similarity | NPC179764 |
0.6111 | Remote Similarity | NPC187777 |
0.6111 | Remote Similarity | NPC20603 |
0.6111 | Remote Similarity | NPC18951 |
0.6111 | Remote Similarity | NPC88325 |
0.6087 | Remote Similarity | NPC209279 |
0.6087 | Remote Similarity | NPC51758 |
0.6087 | Remote Similarity | NPC180871 |
0.6087 | Remote Similarity | NPC68889 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC155880 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 |
---|---|---|---|
0.8205 | Intermediate Similarity | NPD5783 | Phase 3 |
0.75 | Intermediate Similarity | NPD3174 | Discontinued |
0.7111 | Intermediate Similarity | NPD4222 | Approved |
0.7111 | Intermediate Similarity | NPD39 | Approved |
0.7021 | Intermediate Similarity | NPD3173 | Approved |
0.6809 | Remote Similarity | NPD5343 | Approved |
0.6735 | Remote Similarity | NPD29 | Approved |
0.6735 | Remote Similarity | NPD28 | Approved |
0.6667 | Remote Similarity | NPD5326 | Phase 3 |
0.6522 | Remote Similarity | NPD6097 | Approved |
0.6522 | Remote Similarity | NPD6096 | Approved |
0.6471 | Remote Similarity | NPD3172 | Approved |
0.6346 | Remote Similarity | NPD4266 | Approved |
0.6346 | Remote Similarity | NPD3196 | Approved |
0.6346 | Remote Similarity | NPD3194 | Approved |
0.6346 | Remote Similarity | NPD3195 | Phase 2 |
0.5965 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5893 | Remote Similarity | NPD287 | Approved |
0.58 | Remote Similarity | NPD622 | Approved |
0.5769 | Remote Similarity | NPD6927 | Phase 3 |
0.5741 | Remote Similarity | NPD539 | Approved |
0.5738 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD8779 | Phase 3 |
0.5686 | Remote Similarity | NPD4220 | Pre-registration |
0.5667 | Remote Similarity | NPD3197 | Phase 1 |
0.5636 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD6109 | Phase 1 |
PubChem CID   | 6440609 |
ChEMBL   | CHEMBL500066 |
ZINC   |
Molecular Weight:   | 222.20 |
ALogP:   | 0.1894 |
MLogP:   | 3 |
XLogP:   | 5.854 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 16 |