Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT168 | Cell Line | P388 | Mus musculus | ED50 | > | 10 | ug/ml | 21959231 |
NPT137 | Cell Line | L1210 | Mus musculus | ED50 | > | 10 | ug/ml | 21959231 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 10 | ug/ml | 26034885 |
NPT180 | Cell Line | HCT-8 | Homo sapiens | ED50 | = | 3.7 | ug/ml | 26034885 |
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 NPC474391 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 |
---|---|---|
0.8511 | High Similarity | NPC145755 |
0.8511 | High Similarity | NPC267514 |
0.8261 | Intermediate Similarity | NPC7754 |
0.8261 | Intermediate Similarity | NPC270170 |
0.8235 | Intermediate Similarity | NPC477458 |
0.8 | Intermediate Similarity | NPC471958 |
0.7895 | Intermediate Similarity | NPC235242 |
0.7843 | Intermediate Similarity | NPC145311 |
0.7647 | Intermediate Similarity | NPC324812 |
0.76 | Intermediate Similarity | NPC474202 |
0.76 | Intermediate Similarity | NPC474362 |
0.75 | Intermediate Similarity | NPC473733 |
0.7458 | Intermediate Similarity | NPC168407 |
0.7451 | Intermediate Similarity | NPC100380 |
0.7447 | Intermediate Similarity | NPC217923 |
0.7414 | Intermediate Similarity | NPC274927 |
0.7414 | Intermediate Similarity | NPC106851 |
0.7391 | Intermediate Similarity | NPC220061 |
0.7358 | Intermediate Similarity | NPC15325 |
0.7288 | Intermediate Similarity | NPC122521 |
0.7288 | Intermediate Similarity | NPC174447 |
0.7288 | Intermediate Similarity | NPC251042 |
0.7288 | Intermediate Similarity | NPC229252 |
0.7288 | Intermediate Similarity | NPC143857 |
0.7255 | Intermediate Similarity | NPC239754 |
0.7255 | Intermediate Similarity | NPC191337 |
0.7234 | Intermediate Similarity | NPC155880 |
0.7234 | Intermediate Similarity | NPC92863 |
0.7222 | Intermediate Similarity | NPC234829 |
0.7193 | Intermediate Similarity | NPC179764 |
0.7193 | Intermediate Similarity | NPC187777 |
0.7193 | Intermediate Similarity | NPC325977 |
0.7167 | Intermediate Similarity | NPC40082 |
0.7143 | Intermediate Similarity | NPC300121 |
0.7119 | Intermediate Similarity | NPC473652 |
0.7115 | Intermediate Similarity | NPC163751 |
0.7115 | Intermediate Similarity | NPC262558 |
0.7115 | Intermediate Similarity | NPC8610 |
0.7115 | Intermediate Similarity | NPC44363 |
0.7115 | Intermediate Similarity | NPC110234 |
0.7059 | Intermediate Similarity | NPC477686 |
0.7059 | Intermediate Similarity | NPC25771 |
0.7037 | Intermediate Similarity | NPC224227 |
0.7018 | Intermediate Similarity | NPC274290 |
0.7018 | Intermediate Similarity | NPC275472 |
0.7018 | Intermediate Similarity | NPC473863 |
0.7018 | Intermediate Similarity | NPC54766 |
0.7018 | Intermediate Similarity | NPC471239 |
0.6964 | Remote Similarity | NPC284224 |
0.6964 | Remote Similarity | NPC474141 |
0.6964 | Remote Similarity | NPC296311 |
0.6939 | Remote Similarity | NPC113082 |
0.6909 | Remote Similarity | NPC262968 |
0.6897 | Remote Similarity | NPC477201 |
0.6885 | Remote Similarity | NPC97322 |
0.6863 | Remote Similarity | NPC301972 |
0.6863 | Remote Similarity | NPC292463 |
0.6842 | Remote Similarity | NPC322461 |
0.6833 | Remote Similarity | NPC259261 |
0.6825 | Remote Similarity | NPC251118 |
0.6825 | Remote Similarity | NPC176215 |
0.6825 | Remote Similarity | NPC296436 |
0.6792 | Remote Similarity | NPC471752 |
0.6786 | Remote Similarity | NPC471751 |
0.6786 | Remote Similarity | NPC161366 |
0.678 | Remote Similarity | NPC192843 |
0.678 | Remote Similarity | NPC225929 |
0.678 | Remote Similarity | NPC115385 |
0.678 | Remote Similarity | NPC193695 |
0.6774 | Remote Similarity | NPC477707 |
0.6774 | Remote Similarity | NPC477830 |
0.6774 | Remote Similarity | NPC143168 |
0.6774 | Remote Similarity | NPC53109 |
0.6774 | Remote Similarity | NPC288253 |
0.6731 | Remote Similarity | NPC471753 |
0.6727 | Remote Similarity | NPC118788 |
0.6727 | Remote Similarity | NPC32351 |
0.6727 | Remote Similarity | NPC228776 |
0.6724 | Remote Similarity | NPC477984 |
0.6724 | Remote Similarity | NPC474672 |
0.6721 | Remote Similarity | NPC25853 |
0.6719 | Remote Similarity | NPC16119 |
0.6667 | Remote Similarity | NPC94991 |
0.6667 | Remote Similarity | NPC7029 |
0.6667 | Remote Similarity | NPC30215 |
0.6667 | Remote Similarity | NPC298710 |
0.6667 | Remote Similarity | NPC39633 |
0.6667 | Remote Similarity | NPC67920 |
0.6667 | Remote Similarity | NPC266295 |
0.6667 | Remote Similarity | NPC287397 |
0.6667 | Remote Similarity | NPC474400 |
0.6667 | Remote Similarity | NPC294548 |
0.6667 | Remote Similarity | NPC61177 |
0.6667 | Remote Similarity | NPC34622 |
0.6667 | Remote Similarity | NPC139029 |
0.6667 | Remote Similarity | NPC309606 |
0.6667 | Remote Similarity | NPC139545 |
0.6667 | Remote Similarity | NPC1813 |
0.6667 | Remote Similarity | NPC45283 |
0.6667 | Remote Similarity | NPC311852 |
0.6667 | Remote Similarity | NPC36061 |
0.6615 | Remote Similarity | NPC474619 |
0.6613 | Remote Similarity | NPC475795 |
0.6607 | Remote Similarity | NPC28205 |
0.6607 | Remote Similarity | NPC284212 |
0.6607 | Remote Similarity | NPC470412 |
0.6607 | Remote Similarity | NPC470410 |
0.6562 | Remote Similarity | NPC98897 |
0.6557 | Remote Similarity | NPC96551 |
0.6557 | Remote Similarity | NPC329550 |
0.6557 | Remote Similarity | NPC285594 |
0.6552 | Remote Similarity | NPC261831 |
0.6552 | Remote Similarity | NPC6095 |
0.6552 | Remote Similarity | NPC202850 |
0.6552 | Remote Similarity | NPC290563 |
0.6552 | Remote Similarity | NPC88966 |
0.6552 | Remote Similarity | NPC281972 |
0.6552 | Remote Similarity | NPC424 |
0.6552 | Remote Similarity | NPC32467 |
0.6552 | Remote Similarity | NPC154245 |
0.6552 | Remote Similarity | NPC63396 |
0.6552 | Remote Similarity | NPC85813 |
0.6552 | Remote Similarity | NPC87564 |
0.6552 | Remote Similarity | NPC25417 |
0.6538 | Remote Similarity | NPC216921 |
0.6531 | Remote Similarity | NPC130923 |
0.6531 | Remote Similarity | NPC180840 |
0.6515 | Remote Similarity | NPC260474 |
0.6515 | Remote Similarity | NPC476614 |
0.6515 | Remote Similarity | NPC87141 |
0.6515 | Remote Similarity | NPC188292 |
0.6508 | Remote Similarity | NPC167256 |
0.6508 | Remote Similarity | NPC32285 |
0.6508 | Remote Similarity | NPC57463 |
0.6508 | Remote Similarity | NPC151728 |
0.65 | Remote Similarity | NPC193975 |
0.65 | Remote Similarity | NPC281230 |
0.6491 | Remote Similarity | NPC18357 |
0.6491 | Remote Similarity | NPC92114 |
0.6491 | Remote Similarity | NPC281245 |
0.6491 | Remote Similarity | NPC473705 |
0.6481 | Remote Similarity | NPC4079 |
0.6481 | Remote Similarity | NPC14917 |
0.6481 | Remote Similarity | NPC236355 |
0.6471 | Remote Similarity | NPC33489 |
0.6471 | Remote Similarity | NPC186531 |
0.6441 | Remote Similarity | NPC28779 |
0.6441 | Remote Similarity | NPC10316 |
0.6441 | Remote Similarity | NPC200845 |
0.6441 | Remote Similarity | NPC188789 |
0.6441 | Remote Similarity | NPC228473 |
0.6441 | Remote Similarity | NPC128061 |
0.6441 | Remote Similarity | NPC223677 |
0.6441 | Remote Similarity | NPC45626 |
0.6429 | Remote Similarity | NPC58970 |
0.6429 | Remote Similarity | NPC59051 |
0.6429 | Remote Similarity | NPC163984 |
0.6429 | Remote Similarity | NPC176819 |
0.6418 | Remote Similarity | NPC262673 |
0.6418 | Remote Similarity | NPC143396 |
0.6418 | Remote Similarity | NPC256846 |
0.6406 | Remote Similarity | NPC226592 |
0.6406 | Remote Similarity | NPC473902 |
0.6406 | Remote Similarity | NPC470320 |
0.6406 | Remote Similarity | NPC150162 |
0.6406 | Remote Similarity | NPC4638 |
0.6406 | Remote Similarity | NPC212210 |
0.6393 | Remote Similarity | NPC267817 |
0.6393 | Remote Similarity | NPC329819 |
0.6393 | Remote Similarity | NPC34416 |
0.6379 | Remote Similarity | NPC71761 |
0.6379 | Remote Similarity | NPC321062 |
0.6379 | Remote Similarity | NPC37644 |
0.6379 | Remote Similarity | NPC70387 |
0.6379 | Remote Similarity | NPC268564 |
0.6364 | Remote Similarity | NPC243272 |
0.6333 | Remote Similarity | NPC20603 |
0.6333 | Remote Similarity | NPC18951 |
0.6327 | Remote Similarity | NPC24833 |
0.6327 | Remote Similarity | NPC185839 |
0.6324 | Remote Similarity | NPC94743 |
0.6324 | Remote Similarity | NPC291062 |
0.6316 | Remote Similarity | NPC64866 |
0.6316 | Remote Similarity | NPC27438 |
0.6308 | Remote Similarity | NPC133904 |
0.6296 | Remote Similarity | NPC166788 |
0.629 | Remote Similarity | NPC472304 |
0.629 | Remote Similarity | NPC143834 |
0.629 | Remote Similarity | NPC276764 |
0.6275 | Remote Similarity | NPC111474 |
0.6275 | Remote Similarity | NPC48930 |
0.6271 | Remote Similarity | NPC48058 |
0.6269 | Remote Similarity | NPC263382 |
0.6269 | Remote Similarity | NPC125578 |
0.6269 | Remote Similarity | NPC218477 |
0.6269 | Remote Similarity | NPC155198 |
0.6269 | Remote Similarity | NPC134385 |
0.6269 | Remote Similarity | NPC146376 |
0.625 | Remote Similarity | NPC165695 |
0.625 | Remote Similarity | NPC5413 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC474391 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 |
---|---|---|---|
0.7636 | Intermediate Similarity | NPD4627 | Clinical (unspecified phase) |
0.6909 | Remote Similarity | NPD29 | Approved |
0.6909 | Remote Similarity | NPD28 | Approved |
0.6774 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6719 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD3172 | Approved |
0.6604 | Remote Similarity | NPD3174 | Discontinued |
0.6552 | Remote Similarity | NPD3194 | Approved |
0.6552 | Remote Similarity | NPD3195 | Phase 2 |
0.6552 | Remote Similarity | NPD3196 | Approved |
0.6552 | Remote Similarity | NPD4266 | Approved |
0.64 | Remote Similarity | NPD5783 | Phase 3 |
0.625 | Remote Similarity | NPD3173 | Approved |
0.6212 | Remote Similarity | NPD7331 | Phase 2 |
0.6087 | Remote Similarity | NPD4691 | Approved |
0.6056 | Remote Similarity | NPD4058 | Approved |
0.6 | Remote Similarity | NPD39 | Approved |
0.6 | Remote Similarity | NPD4222 | Approved |
0.5942 | Remote Similarity | NPD4137 | Phase 3 |
0.5909 | Remote Similarity | NPD3197 | Phase 1 |
0.5857 | Remote Similarity | NPD4747 | Approved |
0.5833 | Remote Similarity | NPD4687 | Approved |
0.5821 | Remote Similarity | NPD7341 | Phase 2 |
0.5789 | Remote Similarity | NPD5343 | Approved |
0.5789 | Remote Similarity | NPD622 | Approved |
0.5775 | Remote Similarity | NPD5276 | Approved |
0.5735 | Remote Similarity | NPD3704 | Approved |
0.5652 | Remote Similarity | NPD3709 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD5326 | Phase 3 |
0.5625 | Remote Similarity | NPD287 | Approved |
0.5616 | Remote Similarity | NPD5733 | Approved |
0.56 | Remote Similarity | NPD4756 | Discovery |
PubChem CID   | 14753644 |
ChEMBL   | CHEMBL465850 |
ZINC   |
Molecular Weight:   | 256.15 |
ALogP:   | 0.2612 |
MLogP:   | 3.11 |
XLogP:   | 4.778 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 34.14 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 19 |