Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | = | 25.44 | ug/ml | 14640527 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | ED50 | = | 37.29 | ug/ml | 14640527 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 18.41 | ug/ml | 14640527 |
NPT574 | Cell Line | XF498 | Homo sapiens | ED50 | = | 38.07 | ug/ml | 14640527 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | ED50 | = | 42.56 | ug/ml | 14640527 |
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 NPC477686 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 |
---|---|---|
0.9762 | High Similarity | NPC191337 |
0.9024 | High Similarity | NPC111474 |
0.8913 | High Similarity | NPC118788 |
0.8913 | High Similarity | NPC15325 |
0.8864 | High Similarity | NPC166788 |
0.8537 | High Similarity | NPC180840 |
0.8293 | Intermediate Similarity | NPC185839 |
0.8261 | Intermediate Similarity | NPC8610 |
0.8261 | Intermediate Similarity | NPC262558 |
0.8222 | Intermediate Similarity | NPC25771 |
0.8125 | Intermediate Similarity | NPC228776 |
0.8049 | Intermediate Similarity | NPC38497 |
0.8 | Intermediate Similarity | NPC301972 |
0.8 | Intermediate Similarity | NPC216921 |
0.8 | Intermediate Similarity | NPC292463 |
0.7872 | Intermediate Similarity | NPC471752 |
0.7826 | Intermediate Similarity | NPC471753 |
0.7805 | Intermediate Similarity | NPC269641 |
0.7755 | Intermediate Similarity | NPC32351 |
0.7755 | Intermediate Similarity | NPC58970 |
0.7755 | Intermediate Similarity | NPC225974 |
0.7755 | Intermediate Similarity | NPC176819 |
0.7755 | Intermediate Similarity | NPC163984 |
0.7736 | Intermediate Similarity | NPC283502 |
0.7736 | Intermediate Similarity | NPC268185 |
0.7727 | Intermediate Similarity | NPC113082 |
0.7647 | Intermediate Similarity | NPC37644 |
0.7647 | Intermediate Similarity | NPC474805 |
0.7561 | Intermediate Similarity | NPC12889 |
0.7551 | Intermediate Similarity | NPC145311 |
0.75 | Intermediate Similarity | NPC217923 |
0.75 | Intermediate Similarity | NPC317796 |
0.75 | Intermediate Similarity | NPC100380 |
0.7451 | Intermediate Similarity | NPC137396 |
0.7407 | Intermediate Similarity | NPC299369 |
0.7407 | Intermediate Similarity | NPC224103 |
0.7407 | Intermediate Similarity | NPC200831 |
0.74 | Intermediate Similarity | NPC220191 |
0.7333 | Intermediate Similarity | NPC101147 |
0.7333 | Intermediate Similarity | NPC18205 |
0.7333 | Intermediate Similarity | NPC12319 |
0.7321 | Intermediate Similarity | NPC79756 |
0.7317 | Intermediate Similarity | NPC266979 |
0.7308 | Intermediate Similarity | NPC296311 |
0.7308 | Intermediate Similarity | NPC268564 |
0.7308 | Intermediate Similarity | NPC23117 |
0.7273 | Intermediate Similarity | NPC92863 |
0.7273 | Intermediate Similarity | NPC155880 |
0.7273 | Intermediate Similarity | NPC311852 |
0.7255 | Intermediate Similarity | NPC22329 |
0.7255 | Intermediate Similarity | NPC64866 |
0.7222 | Intermediate Similarity | NPC473733 |
0.72 | Intermediate Similarity | NPC267110 |
0.7115 | Intermediate Similarity | NPC471751 |
0.7083 | Intermediate Similarity | NPC267514 |
0.7083 | Intermediate Similarity | NPC145755 |
0.7069 | Intermediate Similarity | NPC477830 |
0.7059 | Intermediate Similarity | NPC474391 |
0.7059 | Intermediate Similarity | NPC288381 |
0.7059 | Intermediate Similarity | NPC20934 |
0.7045 | Intermediate Similarity | NPC24833 |
0.7 | Intermediate Similarity | NPC324812 |
0.7 | Intermediate Similarity | NPC91962 |
0.6981 | Remote Similarity | NPC14002 |
0.6981 | Remote Similarity | NPC45283 |
0.6949 | Remote Similarity | NPC34622 |
0.6949 | Remote Similarity | NPC474400 |
0.6923 | Remote Similarity | NPC477458 |
0.6923 | Remote Similarity | NPC234829 |
0.6905 | Remote Similarity | NPC304788 |
0.6889 | Remote Similarity | NPC130923 |
0.6852 | Remote Similarity | NPC189677 |
0.6852 | Remote Similarity | NPC300121 |
0.6852 | Remote Similarity | NPC322461 |
0.6852 | Remote Similarity | NPC5626 |
0.6842 | Remote Similarity | NPC203233 |
0.6842 | Remote Similarity | NPC473494 |
0.6833 | Remote Similarity | NPC251118 |
0.6833 | Remote Similarity | NPC98897 |
0.68 | Remote Similarity | NPC4079 |
0.68 | Remote Similarity | NPC236355 |
0.68 | Remote Similarity | NPC14917 |
0.68 | Remote Similarity | NPC308331 |
0.68 | Remote Similarity | NPC128280 |
0.6786 | Remote Similarity | NPC281230 |
0.6786 | Remote Similarity | NPC192843 |
0.678 | Remote Similarity | NPC288253 |
0.678 | Remote Similarity | NPC32285 |
0.678 | Remote Similarity | NPC477707 |
0.678 | Remote Similarity | NPC57463 |
0.678 | Remote Similarity | NPC151728 |
0.678 | Remote Similarity | NPC53109 |
0.678 | Remote Similarity | NPC143168 |
0.6735 | Remote Similarity | NPC6963 |
0.6735 | Remote Similarity | NPC304079 |
0.6731 | Remote Similarity | NPC236338 |
0.6727 | Remote Similarity | NPC275472 |
0.6721 | Remote Similarity | NPC16119 |
0.6721 | Remote Similarity | NPC137163 |
0.6667 | Remote Similarity | NPC295777 |
0.6667 | Remote Similarity | NPC69898 |
0.6667 | Remote Similarity | NPC254764 |
0.6667 | Remote Similarity | NPC7029 |
0.6667 | Remote Similarity | NPC150162 |
0.6667 | Remote Similarity | NPC4638 |
0.6667 | Remote Similarity | NPC474141 |
0.6667 | Remote Similarity | NPC139056 |
0.6667 | Remote Similarity | NPC471958 |
0.6667 | Remote Similarity | NPC217188 |
0.6667 | Remote Similarity | NPC320421 |
0.6667 | Remote Similarity | NPC212210 |
0.6613 | Remote Similarity | NPC474619 |
0.6613 | Remote Similarity | NPC106613 |
0.6613 | Remote Similarity | NPC203335 |
0.661 | Remote Similarity | NPC151648 |
0.661 | Remote Similarity | NPC97322 |
0.6607 | Remote Similarity | NPC325977 |
0.6604 | Remote Similarity | NPC30433 |
0.66 | Remote Similarity | NPC474202 |
0.66 | Remote Similarity | NPC474362 |
0.66 | Remote Similarity | NPC270706 |
0.6552 | Remote Similarity | NPC259261 |
0.6552 | Remote Similarity | NPC472304 |
0.6552 | Remote Similarity | NPC276764 |
0.6545 | Remote Similarity | NPC209431 |
0.6545 | Remote Similarity | NPC474127 |
0.6545 | Remote Similarity | NPC100809 |
0.6545 | Remote Similarity | NPC129710 |
0.6531 | Remote Similarity | NPC106819 |
0.6508 | Remote Similarity | NPC260474 |
0.6508 | Remote Similarity | NPC155198 |
0.6508 | Remote Similarity | NPC87141 |
0.6508 | Remote Similarity | NPC188292 |
0.65 | Remote Similarity | NPC322457 |
0.65 | Remote Similarity | NPC165695 |
0.6491 | Remote Similarity | NPC193695 |
0.6491 | Remote Similarity | NPC71755 |
0.6458 | Remote Similarity | NPC270170 |
0.6458 | Remote Similarity | NPC33489 |
0.6458 | Remote Similarity | NPC7754 |
0.6441 | Remote Similarity | NPC127582 |
0.6441 | Remote Similarity | NPC25853 |
0.6429 | Remote Similarity | NPC173157 |
0.6429 | Remote Similarity | NPC297280 |
0.6429 | Remote Similarity | NPC188789 |
0.6406 | Remote Similarity | NPC469914 |
0.6406 | Remote Similarity | NPC256846 |
0.6406 | Remote Similarity | NPC262673 |
0.64 | Remote Similarity | NPC106547 |
0.6383 | Remote Similarity | NPC33761 |
0.6379 | Remote Similarity | NPC170799 |
0.6379 | Remote Similarity | NPC281195 |
0.6379 | Remote Similarity | NPC94991 |
0.6379 | Remote Similarity | NPC266295 |
0.6379 | Remote Similarity | NPC308108 |
0.6379 | Remote Similarity | NPC60772 |
0.6379 | Remote Similarity | NPC56905 |
0.6379 | Remote Similarity | NPC27610 |
0.6379 | Remote Similarity | NPC30215 |
0.6364 | Remote Similarity | NPC168521 |
0.6349 | Remote Similarity | NPC243272 |
0.6349 | Remote Similarity | NPC475523 |
0.6333 | Remote Similarity | NPC475795 |
0.6333 | Remote Similarity | NPC260573 |
0.6333 | Remote Similarity | NPC64985 |
0.6333 | Remote Similarity | NPC213152 |
0.6327 | Remote Similarity | NPC298710 |
0.6327 | Remote Similarity | NPC208936 |
0.6327 | Remote Similarity | NPC67920 |
0.6327 | Remote Similarity | NPC287397 |
0.6308 | Remote Similarity | NPC94743 |
0.6308 | Remote Similarity | NPC291062 |
0.6308 | Remote Similarity | NPC2634 |
0.6308 | Remote Similarity | NPC251929 |
0.6308 | Remote Similarity | NPC265782 |
0.6304 | Remote Similarity | NPC279300 |
0.6304 | Remote Similarity | NPC220061 |
0.6296 | Remote Similarity | NPC27438 |
0.6296 | Remote Similarity | NPC43053 |
0.629 | Remote Similarity | NPC470688 |
0.629 | Remote Similarity | NPC470329 |
0.6279 | Remote Similarity | NPC3649 |
0.6275 | Remote Similarity | NPC110396 |
0.6275 | Remote Similarity | NPC117572 |
0.6271 | Remote Similarity | NPC106851 |
0.6271 | Remote Similarity | NPC96551 |
0.6271 | Remote Similarity | NPC329550 |
0.6271 | Remote Similarity | NPC285594 |
0.6271 | Remote Similarity | NPC274927 |
0.6271 | Remote Similarity | NPC38455 |
0.625 | Remote Similarity | NPC63396 |
0.625 | Remote Similarity | NPC323278 |
0.625 | Remote Similarity | NPC134385 |
0.625 | Remote Similarity | NPC202850 |
0.625 | Remote Similarity | NPC310992 |
0.625 | Remote Similarity | NPC146376 |
0.625 | Remote Similarity | NPC263382 |
0.625 | Remote Similarity | NPC125578 |
0.623 | Remote Similarity | NPC190049 |
0.623 | Remote Similarity | NPC474658 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC477686 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 |
---|---|---|---|
0.8333 | Intermediate Similarity | NPD5783 | Phase 3 |
0.7407 | Intermediate Similarity | NPD8779 | Phase 3 |
0.678 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6727 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.6721 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6538 | Remote Similarity | NPD4220 | Pre-registration |
0.6452 | Remote Similarity | NPD7331 | Phase 2 |
0.6379 | Remote Similarity | NPD287 | Approved |
0.6349 | Remote Similarity | NPD3709 | Clinical (unspecified phase) |
0.6308 | Remote Similarity | NPD4691 | Approved |
0.6296 | Remote Similarity | NPD6927 | Phase 3 |
0.6275 | Remote Similarity | NPD4222 | Approved |
0.6275 | Remote Similarity | NPD39 | Approved |
0.6275 | Remote Similarity | NPD3174 | Discontinued |
0.62 | Remote Similarity | NPD5326 | Phase 3 |
0.6154 | Remote Similarity | NPD4137 | Phase 3 |
0.6078 | Remote Similarity | NPD6097 | Approved |
0.6078 | Remote Similarity | NPD6096 | Approved |
0.6061 | Remote Similarity | NPD4747 | Approved |
0.6038 | Remote Similarity | NPD5343 | Approved |
0.6029 | Remote Similarity | NPD4058 | Approved |
0.597 | Remote Similarity | NPD5276 | Approved |
0.5965 | Remote Similarity | NPD539 | Approved |
0.5926 | Remote Similarity | NPD3173 | Approved |
0.5873 | Remote Similarity | NPD1984 | Approved |
0.5806 | Remote Similarity | NPD4191 | Approved |
0.5806 | Remote Similarity | NPD4192 | Approved |
0.5806 | Remote Similarity | NPD4194 | Approved |
0.5806 | Remote Similarity | NPD4193 | Approved |
0.5797 | Remote Similarity | NPD5733 | Approved |
0.5797 | Remote Similarity | NPD4687 | Approved |
0.5781 | Remote Similarity | NPD7341 | Phase 2 |
0.5775 | Remote Similarity | NPD4756 | Discovery |
0.5714 | Remote Similarity | NPD29 | Approved |
0.5714 | Remote Similarity | NPD28 | Approved |
0.5692 | Remote Similarity | NPD3704 | Approved |
0.5686 | Remote Similarity | NPD9297 | Discontinued |
0.5686 | Remote Similarity | NPD9091 | Suspended |
0.566 | Remote Similarity | NPD4265 | Approved |
0.5625 | Remote Similarity | NPD319 | Phase 1 |
PubChem CID   | 44566896 |
ChEMBL   | CHEMBL461179 |
ZINC   |
Molecular Weight:   | 326.22 |
ALogP:   | 4.7872 |
MLogP:   | 3.66 |
XLogP:   | 5.22 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 34.14 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 24 |