Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | > | 40000 | nM | 23064162 |
NPT176 | Organism | Artemia salina | Artemia salina | Activity | = | 38.26 | % | 21109433 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 40000 | nM | DrugMatrix in vitro pharmacology data |
NPT659 | Cell Line | SMMC-7721 | Homo sapiens | IC50 | > | 40000 | nM | 16989518 |
NPT660 | Cell Line | SW480 | Homo sapiens | IC50 | > | 40000 | nM | PubChem BioAssay data set |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 40000 | nM | Open TG-GATES in vivo data: Biochemistry |
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 NPC471109 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 |
---|---|---|
0.8 | Intermediate Similarity | NPC470535 |
0.7949 | Intermediate Similarity | NPC470534 |
0.7931 | Intermediate Similarity | NPC470536 |
0.7705 | Intermediate Similarity | NPC476952 |
0.7581 | Intermediate Similarity | NPC88190 |
0.7563 | Intermediate Similarity | NPC470527 |
0.7563 | Intermediate Similarity | NPC470529 |
0.7563 | Intermediate Similarity | NPC470531 |
0.7563 | Intermediate Similarity | NPC470532 |
0.7563 | Intermediate Similarity | NPC470528 |
0.7563 | Intermediate Similarity | NPC470533 |
0.7563 | Intermediate Similarity | NPC470530 |
0.7478 | Intermediate Similarity | NPC474348 |
0.7231 | Intermediate Similarity | NPC476951 |
0.7121 | Intermediate Similarity | NPC470539 |
0.6855 | Remote Similarity | NPC473232 |
0.6842 | Remote Similarity | NPC470537 |
0.6716 | Remote Similarity | NPC280903 |
0.6639 | Remote Similarity | NPC476344 |
0.6589 | Remote Similarity | NPC470538 |
0.6587 | Remote Similarity | NPC63511 |
0.6504 | Remote Similarity | NPC265094 |
0.6489 | Remote Similarity | NPC96731 |
0.6475 | Remote Similarity | NPC77703 |
0.6471 | Remote Similarity | NPC150041 |
0.641 | Remote Similarity | NPC17143 |
0.641 | Remote Similarity | NPC47230 |
0.6404 | Remote Similarity | NPC142649 |
0.6364 | Remote Similarity | NPC474006 |
0.632 | Remote Similarity | NPC475239 |
0.632 | Remote Similarity | NPC309190 |
0.6316 | Remote Similarity | NPC165287 |
0.6308 | Remote Similarity | NPC469597 |
0.6299 | Remote Similarity | NPC476276 |
0.6293 | Remote Similarity | NPC237540 |
0.6293 | Remote Similarity | NPC324506 |
0.6279 | Remote Similarity | NPC474411 |
0.6279 | Remote Similarity | NPC474431 |
0.6277 | Remote Similarity | NPC309525 |
0.627 | Remote Similarity | NPC476328 |
0.626 | Remote Similarity | NPC145501 |
0.626 | Remote Similarity | NPC477964 |
0.623 | Remote Similarity | NPC169205 |
0.622 | Remote Similarity | NPC271562 |
0.621 | Remote Similarity | NPC206079 |
0.6207 | Remote Similarity | NPC6247 |
0.6198 | Remote Similarity | NPC48803 |
0.6198 | Remote Similarity | NPC90121 |
0.6198 | Remote Similarity | NPC193645 |
0.6198 | Remote Similarity | NPC275960 |
0.6186 | Remote Similarity | NPC477215 |
0.6186 | Remote Similarity | NPC52198 |
0.6186 | Remote Similarity | NPC476388 |
0.6186 | Remote Similarity | NPC268298 |
0.6186 | Remote Similarity | NPC117405 |
0.6179 | Remote Similarity | NPC141191 |
0.6154 | Remote Similarity | NPC58281 |
0.6148 | Remote Similarity | NPC185553 |
0.6136 | Remote Similarity | NPC135431 |
0.6136 | Remote Similarity | NPC470540 |
0.6134 | Remote Similarity | NPC129419 |
0.6111 | Remote Similarity | NPC474827 |
0.6111 | Remote Similarity | NPC68001 |
0.6111 | Remote Similarity | NPC199831 |
0.6111 | Remote Similarity | NPC474828 |
0.6107 | Remote Similarity | NPC469466 |
0.6103 | Remote Similarity | NPC470277 |
0.6102 | Remote Similarity | NPC203170 |
0.6094 | Remote Similarity | NPC176773 |
0.609 | Remote Similarity | NPC209252 |
0.6087 | Remote Similarity | NPC65350 |
0.608 | Remote Similarity | NPC224720 |
0.608 | Remote Similarity | NPC476223 |
0.608 | Remote Similarity | NPC476240 |
0.6069 | Remote Similarity | NPC45813 |
0.6063 | Remote Similarity | NPC212874 |
0.6063 | Remote Similarity | NPC255309 |
0.6061 | Remote Similarity | NPC209058 |
0.6056 | Remote Similarity | NPC90814 |
0.6056 | Remote Similarity | NPC189393 |
0.6053 | Remote Similarity | NPC255580 |
0.6053 | Remote Similarity | NPC39411 |
0.605 | Remote Similarity | NPC212664 |
0.6048 | Remote Similarity | NPC64742 |
0.6048 | Remote Similarity | NPC114274 |
0.6047 | Remote Similarity | NPC207820 |
0.6047 | Remote Similarity | NPC469844 |
0.6034 | Remote Similarity | NPC238197 |
0.6033 | Remote Similarity | NPC109414 |
0.6018 | Remote Similarity | NPC181195 |
0.6018 | Remote Similarity | NPC261125 |
0.6016 | Remote Similarity | NPC236644 |
0.6016 | Remote Similarity | NPC271269 |
0.6016 | Remote Similarity | NPC125622 |
0.6016 | Remote Similarity | NPC154601 |
0.6016 | Remote Similarity | NPC96377 |
0.6016 | Remote Similarity | NPC9812 |
0.6014 | Remote Similarity | NPC133089 |
0.6 | Remote Similarity | NPC280963 |
0.6 | Remote Similarity | NPC96010 |
0.6 | Remote Similarity | NPC287833 |
0.6 | Remote Similarity | NPC112167 |
0.6 | Remote Similarity | NPC476274 |
0.6 | Remote Similarity | NPC477711 |
0.6 | Remote Similarity | NPC470276 |
0.6 | Remote Similarity | NPC77337 |
0.6 | Remote Similarity | NPC317654 |
0.6 | Remote Similarity | NPC159568 |
0.5985 | Remote Similarity | NPC238323 |
0.5985 | Remote Similarity | NPC314550 |
0.5984 | Remote Similarity | NPC90453 |
0.5984 | Remote Similarity | NPC264048 |
0.5984 | Remote Similarity | NPC167219 |
0.5984 | Remote Similarity | NPC289004 |
0.5983 | Remote Similarity | NPC161957 |
0.5983 | Remote Similarity | NPC470177 |
0.5982 | Remote Similarity | NPC195785 |
0.5982 | Remote Similarity | NPC15975 |
0.5969 | Remote Similarity | NPC251330 |
0.5968 | Remote Similarity | NPC202705 |
0.5968 | Remote Similarity | NPC87090 |
0.5968 | Remote Similarity | NPC292133 |
0.5968 | Remote Similarity | NPC108078 |
0.5966 | Remote Similarity | NPC190718 |
0.5956 | Remote Similarity | NPC35037 |
0.5954 | Remote Similarity | NPC239097 |
0.5952 | Remote Similarity | NPC477950 |
0.5952 | Remote Similarity | NPC477356 |
0.5952 | Remote Similarity | NPC116139 |
0.595 | Remote Similarity | NPC74103 |
0.595 | Remote Similarity | NPC70595 |
0.595 | Remote Similarity | NPC150978 |
0.595 | Remote Similarity | NPC123177 |
0.5948 | Remote Similarity | NPC470165 |
0.5948 | Remote Similarity | NPC62214 |
0.5938 | Remote Similarity | NPC203659 |
0.5938 | Remote Similarity | NPC119329 |
0.5938 | Remote Similarity | NPC235889 |
0.5935 | Remote Similarity | NPC470016 |
0.5935 | Remote Similarity | NPC241156 |
0.5935 | Remote Similarity | NPC472469 |
0.5935 | Remote Similarity | NPC317586 |
0.5935 | Remote Similarity | NPC469599 |
0.5932 | Remote Similarity | NPC70422 |
0.5932 | Remote Similarity | NPC104961 |
0.5932 | Remote Similarity | NPC70555 |
0.5932 | Remote Similarity | NPC107787 |
0.5923 | Remote Similarity | NPC220155 |
0.5923 | Remote Similarity | NPC70235 |
0.5923 | Remote Similarity | NPC474099 |
0.592 | Remote Similarity | NPC244411 |
0.592 | Remote Similarity | NPC197386 |
0.592 | Remote Similarity | NPC222011 |
0.592 | Remote Similarity | NPC477355 |
0.5917 | Remote Similarity | NPC212598 |
0.5917 | Remote Similarity | NPC232747 |
0.5913 | Remote Similarity | NPC136150 |
0.5912 | Remote Similarity | NPC11379 |
0.5912 | Remote Similarity | NPC230849 |
0.5909 | Remote Similarity | NPC21713 |
0.5909 | Remote Similarity | NPC475608 |
0.5906 | Remote Similarity | NPC118405 |
0.5906 | Remote Similarity | NPC66110 |
0.5906 | Remote Similarity | NPC225353 |
0.5902 | Remote Similarity | NPC474807 |
0.5902 | Remote Similarity | NPC25750 |
0.5897 | Remote Similarity | NPC7927 |
0.5897 | Remote Similarity | NPC115786 |
0.5897 | Remote Similarity | NPC230527 |
0.5893 | Remote Similarity | NPC215481 |
0.5891 | Remote Similarity | NPC233256 |
0.5891 | Remote Similarity | NPC181265 |
0.5891 | Remote Similarity | NPC195841 |
0.589 | Remote Similarity | NPC243902 |
0.5887 | Remote Similarity | NPC328371 |
0.5887 | Remote Similarity | NPC3772 |
0.5887 | Remote Similarity | NPC247902 |
0.5887 | Remote Similarity | NPC262880 |
0.5887 | Remote Similarity | NPC456 |
0.5887 | Remote Similarity | NPC472941 |
0.5882 | Remote Similarity | NPC476956 |
0.5882 | Remote Similarity | NPC473525 |
0.5882 | Remote Similarity | NPC174463 |
0.5882 | Remote Similarity | NPC167877 |
0.5882 | Remote Similarity | NPC471673 |
0.5878 | Remote Similarity | NPC258543 |
0.5878 | Remote Similarity | NPC41405 |
0.5878 | Remote Similarity | NPC274895 |
0.5878 | Remote Similarity | NPC218602 |
0.5878 | Remote Similarity | NPC241927 |
0.5877 | Remote Similarity | NPC164308 |
0.5874 | Remote Similarity | NPC41162 |
0.5873 | Remote Similarity | NPC51370 |
0.5873 | Remote Similarity | NPC88198 |
0.5868 | Remote Similarity | NPC477149 |
0.5868 | Remote Similarity | NPC477147 |
0.5868 | Remote Similarity | NPC253144 |
0.5868 | Remote Similarity | NPC145666 |
0.5865 | Remote Similarity | NPC76660 |
0.5865 | Remote Similarity | NPC1111 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC471109 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 |
---|---|---|---|
0.6532 | Remote Similarity | NPD7333 | Discontinued |
0.6316 | Remote Similarity | NPD7519 | Approved |
0.6316 | Remote Similarity | NPD7517 | Approved |
0.6316 | Remote Similarity | NPD7518 | Approved |
0.625 | Remote Similarity | NPD7122 | Discontinued |
0.6214 | Remote Similarity | NPD7751 | Phase 1 |
0.6198 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6127 | Remote Similarity | NPD6845 | Suspended |
0.6061 | Remote Similarity | NPD1376 | Discontinued |
0.6056 | Remote Similarity | NPD7260 | Phase 2 |
0.6016 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5785 | Approved |
0.5985 | Remote Similarity | NPD6908 | Approved |
0.5985 | Remote Similarity | NPD6909 | Approved |
0.5948 | Remote Similarity | NPD5362 | Discontinued |
0.5913 | Remote Similarity | NPD857 | Phase 3 |
0.5882 | Remote Similarity | NPD7641 | Discontinued |
0.5847 | Remote Similarity | NPD5363 | Approved |
0.5845 | Remote Similarity | NPD8337 | Approved |
0.5845 | Remote Similarity | NPD8336 | Approved |
0.5833 | Remote Similarity | NPD6420 | Discontinued |
0.5816 | Remote Similarity | NPD8273 | Phase 1 |
0.5806 | Remote Similarity | NPD4629 | Approved |
0.5806 | Remote Similarity | NPD5210 | Approved |
0.5794 | Remote Similarity | NPD5696 | Approved |
0.5793 | Remote Similarity | NPD8338 | Approved |
0.5789 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5776 | Remote Similarity | NPD5369 | Approved |
0.5772 | Remote Similarity | NPD6399 | Phase 3 |
0.5726 | Remote Similarity | NPD5282 | Discontinued |
0.5725 | Remote Similarity | NPD5697 | Approved |
0.5714 | Remote Similarity | NPD6084 | Phase 2 |
0.5714 | Remote Similarity | NPD6083 | Phase 2 |
0.5691 | Remote Similarity | NPD5281 | Approved |
0.5691 | Remote Similarity | NPD5284 | Approved |
0.5691 | Remote Similarity | NPD6079 | Approved |
0.5682 | Remote Similarity | NPD6881 | Approved |
0.5682 | Remote Similarity | NPD6899 | Approved |
0.5682 | Remote Similarity | NPD6011 | Approved |
0.568 | Remote Similarity | NPD5695 | Phase 3 |
0.5672 | Remote Similarity | NPD6650 | Approved |
0.5672 | Remote Similarity | NPD6649 | Approved |
0.5667 | Remote Similarity | NPD5786 | Approved |
0.5639 | Remote Similarity | NPD6014 | Approved |
0.5639 | Remote Similarity | NPD6012 | Approved |
0.5639 | Remote Similarity | NPD6013 | Approved |
0.5635 | Remote Similarity | NPD5221 | Approved |
0.5635 | Remote Similarity | NPD5222 | Approved |
0.5635 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.5608 | Remote Similarity | NPD8415 | Approved |
0.56 | Remote Similarity | NPD6333 | Approved |
0.56 | Remote Similarity | NPD6334 | Approved |
PubChem CID   | 73356413 |
ChEMBL   | CHEMBL2375160 |
ZINC   |
Molecular Weight:   | 399.20 |
ALogP:   | -0.8479 |
MLogP:   | 3.33 |
XLogP:   | 0.039 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 83.91 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 29 |