Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | > | 10 | ug/ml | 23398362 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | ED50 | > | 10 | ug/ml | 7473578 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | > | 10 | ug/ml | 23734721 |
NPT574 | Cell Line | XF498 | Homo sapiens | ED50 | > | 10 | ug/ml | PubChem BioAssay data set |
NPT148 | Cell Line | HCT-15 | Homo sapiens | ED50 | > | 10 | ug/ml | 19487444 |
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 NPC183449 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 | NPC197294 |
1.0 | High Similarity | NPC8098 |
0.9778 | High Similarity | NPC45313 |
0.9775 | High Similarity | NPC156782 |
0.9775 | High Similarity | NPC256570 |
0.9775 | High Similarity | NPC157353 |
0.9775 | High Similarity | NPC192066 |
0.9775 | High Similarity | NPC54961 |
0.9775 | High Similarity | NPC158445 |
0.9775 | High Similarity | NPC282088 |
0.9775 | High Similarity | NPC3568 |
0.9775 | High Similarity | NPC17290 |
0.9556 | High Similarity | NPC262312 |
0.9556 | High Similarity | NPC23454 |
0.9556 | High Similarity | NPC35269 |
0.9556 | High Similarity | NPC70323 |
0.9551 | High Similarity | NPC473581 |
0.9551 | High Similarity | NPC15851 |
0.9551 | High Similarity | NPC473950 |
0.9551 | High Similarity | NPC309898 |
0.9551 | High Similarity | NPC111567 |
0.9551 | High Similarity | NPC186840 |
0.9551 | High Similarity | NPC473604 |
0.9551 | High Similarity | NPC475125 |
0.9551 | High Similarity | NPC263545 |
0.9438 | High Similarity | NPC242503 |
0.9438 | High Similarity | NPC74672 |
0.9438 | High Similarity | NPC209047 |
0.9438 | High Similarity | NPC139782 |
0.9438 | High Similarity | NPC43074 |
0.9333 | High Similarity | NPC282705 |
0.9333 | High Similarity | NPC182632 |
0.8913 | High Similarity | NPC475603 |
0.8913 | High Similarity | NPC61894 |
0.86 | High Similarity | NPC201128 |
0.83 | Intermediate Similarity | NPC477198 |
0.7714 | Intermediate Similarity | NPC475918 |
0.764 | Intermediate Similarity | NPC288086 |
0.7624 | Intermediate Similarity | NPC475503 |
0.7549 | Intermediate Similarity | NPC475646 |
0.7523 | Intermediate Similarity | NPC29501 |
0.7396 | Intermediate Similarity | NPC476523 |
0.7358 | Intermediate Similarity | NPC55336 |
0.729 | Intermediate Similarity | NPC74035 |
0.7191 | Intermediate Similarity | NPC291196 |
0.7191 | Intermediate Similarity | NPC103712 |
0.7174 | Intermediate Similarity | NPC264417 |
0.7174 | Intermediate Similarity | NPC217095 |
0.7156 | Intermediate Similarity | NPC315426 |
0.7143 | Intermediate Similarity | NPC55652 |
0.7143 | Intermediate Similarity | NPC314678 |
0.7129 | Intermediate Similarity | NPC477866 |
0.7129 | Intermediate Similarity | NPC477865 |
0.7115 | Intermediate Similarity | NPC189629 |
0.7113 | Intermediate Similarity | NPC228638 |
0.7075 | Intermediate Similarity | NPC271207 |
0.7075 | Intermediate Similarity | NPC255175 |
0.7075 | Intermediate Similarity | NPC206711 |
0.7075 | Intermediate Similarity | NPC225978 |
0.7071 | Intermediate Similarity | NPC208473 |
0.7034 | Intermediate Similarity | NPC469943 |
0.703 | Intermediate Similarity | NPC39290 |
0.703 | Intermediate Similarity | NPC159369 |
0.6952 | Remote Similarity | NPC175614 |
0.6915 | Remote Similarity | NPC229655 |
0.6882 | Remote Similarity | NPC472173 |
0.6869 | Remote Similarity | NPC473308 |
0.6842 | Remote Similarity | NPC314306 |
0.6832 | Remote Similarity | NPC475186 |
0.6832 | Remote Similarity | NPC118077 |
0.6804 | Remote Similarity | NPC127295 |
0.6804 | Remote Similarity | NPC163362 |
0.68 | Remote Similarity | NPC73166 |
0.6786 | Remote Similarity | NPC475150 |
0.6777 | Remote Similarity | NPC313333 |
0.6777 | Remote Similarity | NPC314512 |
0.6777 | Remote Similarity | NPC314451 |
0.6777 | Remote Similarity | NPC313342 |
0.6771 | Remote Similarity | NPC474833 |
0.6768 | Remote Similarity | NPC473315 |
0.6768 | Remote Similarity | NPC142111 |
0.6765 | Remote Similarity | NPC470284 |
0.6748 | Remote Similarity | NPC329919 |
0.6748 | Remote Similarity | NPC477793 |
0.6735 | Remote Similarity | NPC236649 |
0.6735 | Remote Similarity | NPC21693 |
0.6735 | Remote Similarity | NPC469469 |
0.6731 | Remote Similarity | NPC472199 |
0.6731 | Remote Similarity | NPC472197 |
0.6702 | Remote Similarity | NPC472174 |
0.67 | Remote Similarity | NPC477199 |
0.6696 | Remote Similarity | NPC469865 |
0.6667 | Remote Similarity | NPC477385 |
0.6667 | Remote Similarity | NPC472196 |
0.6667 | Remote Similarity | NPC251026 |
0.6667 | Remote Similarity | NPC477390 |
0.6667 | Remote Similarity | NPC474312 |
0.6667 | Remote Similarity | NPC472195 |
0.6667 | Remote Similarity | NPC238090 |
0.6639 | Remote Similarity | NPC67917 |
0.6639 | Remote Similarity | NPC314268 |
0.6639 | Remote Similarity | NPC313802 |
0.6639 | Remote Similarity | NPC477515 |
0.6604 | Remote Similarity | NPC159698 |
0.6604 | Remote Similarity | NPC472198 |
0.6602 | Remote Similarity | NPC470137 |
0.66 | Remote Similarity | NPC38295 |
0.66 | Remote Similarity | NPC156089 |
0.66 | Remote Similarity | NPC470313 |
0.66 | Remote Similarity | NPC473500 |
0.6596 | Remote Similarity | NPC132938 |
0.6579 | Remote Similarity | NPC133625 |
0.6571 | Remote Similarity | NPC208537 |
0.6571 | Remote Similarity | NPC270005 |
0.6566 | Remote Similarity | NPC82799 |
0.6562 | Remote Similarity | NPC326661 |
0.6559 | Remote Similarity | NPC474078 |
0.6556 | Remote Similarity | NPC477525 |
0.6538 | Remote Similarity | NPC285588 |
0.6535 | Remote Similarity | NPC314361 |
0.6532 | Remote Similarity | NPC314282 |
0.6514 | Remote Similarity | NPC313440 |
0.6509 | Remote Similarity | NPC320089 |
0.6509 | Remote Similarity | NPC320552 |
0.6505 | Remote Similarity | NPC125142 |
0.6495 | Remote Similarity | NPC110813 |
0.6484 | Remote Similarity | NPC315141 |
0.6484 | Remote Similarity | NPC78189 |
0.6484 | Remote Similarity | NPC129995 |
0.6476 | Remote Similarity | NPC473311 |
0.6476 | Remote Similarity | NPC327253 |
0.6471 | Remote Similarity | NPC6531 |
0.6465 | Remote Similarity | NPC100697 |
0.6449 | Remote Similarity | NPC470283 |
0.6444 | Remote Similarity | NPC13143 |
0.6444 | Remote Similarity | NPC294813 |
0.6442 | Remote Similarity | NPC248312 |
0.6442 | Remote Similarity | NPC316186 |
0.6435 | Remote Similarity | NPC473578 |
0.6429 | Remote Similarity | NPC316807 |
0.6429 | Remote Similarity | NPC133377 |
0.6423 | Remote Similarity | NPC315783 |
0.6423 | Remote Similarity | NPC314629 |
0.6422 | Remote Similarity | NPC240372 |
0.6415 | Remote Similarity | NPC110072 |
0.6415 | Remote Similarity | NPC302584 |
0.641 | Remote Similarity | NPC295444 |
0.641 | Remote Similarity | NPC279383 |
0.641 | Remote Similarity | NPC268327 |
0.641 | Remote Similarity | NPC273215 |
0.6408 | Remote Similarity | NPC477387 |
0.6408 | Remote Similarity | NPC477389 |
0.64 | Remote Similarity | NPC280367 |
0.6396 | Remote Similarity | NPC471637 |
0.6396 | Remote Similarity | NPC475157 |
0.6396 | Remote Similarity | NPC2313 |
0.6396 | Remote Similarity | NPC57586 |
0.6396 | Remote Similarity | NPC475655 |
0.6396 | Remote Similarity | NPC154132 |
0.6389 | Remote Similarity | NPC189764 |
0.6387 | Remote Similarity | NPC30196 |
0.6381 | Remote Similarity | NPC309310 |
0.6373 | Remote Similarity | NPC475035 |
0.6373 | Remote Similarity | NPC266718 |
0.6371 | Remote Similarity | NPC204639 |
0.6371 | Remote Similarity | NPC469494 |
0.6354 | Remote Similarity | NPC24590 |
0.6346 | Remote Similarity | NPC475037 |
0.6346 | Remote Similarity | NPC477386 |
0.6346 | Remote Similarity | NPC477388 |
0.6341 | Remote Similarity | NPC273185 |
0.6337 | Remote Similarity | NPC20072 |
0.6336 | Remote Similarity | NPC230889 |
0.633 | Remote Similarity | NPC90583 |
0.6328 | Remote Similarity | NPC475472 |
0.6316 | Remote Similarity | NPC472433 |
0.6316 | Remote Similarity | NPC315070 |
0.6306 | Remote Similarity | NPC64348 |
0.63 | Remote Similarity | NPC133226 |
0.63 | Remote Similarity | NPC470147 |
0.6299 | Remote Similarity | NPC313962 |
0.6299 | Remote Similarity | NPC316205 |
0.6299 | Remote Similarity | NPC315387 |
0.6296 | Remote Similarity | NPC294293 |
0.6286 | Remote Similarity | NPC476744 |
0.6283 | Remote Similarity | NPC197736 |
0.6279 | Remote Similarity | NPC119794 |
0.6279 | Remote Similarity | NPC73829 |
0.6277 | Remote Similarity | NPC280065 |
0.6277 | Remote Similarity | NPC45060 |
0.6271 | Remote Similarity | NPC261750 |
0.6271 | Remote Similarity | NPC1111 |
0.626 | Remote Similarity | NPC472430 |
0.625 | Remote Similarity | NPC470836 |
0.6239 | Remote Similarity | NPC50902 |
0.6239 | Remote Similarity | NPC233273 |
0.6239 | Remote Similarity | NPC205546 |
0.6231 | Remote Similarity | NPC76999 |
0.6222 | Remote Similarity | NPC29468 |
0.6218 | Remote Similarity | NPC475988 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC183449 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 |
---|---|---|---|
0.9438 | High Similarity | NPD8522 | Clinical (unspecified phase) |
0.6964 | Remote Similarity | NPD6421 | Discontinued |
0.6842 | Remote Similarity | NPD6429 | Approved |
0.6842 | Remote Similarity | NPD6430 | Approved |
0.6777 | Remote Similarity | NPD8341 | Approved |
0.6777 | Remote Similarity | NPD8342 | Approved |
0.6777 | Remote Similarity | NPD8340 | Approved |
0.6777 | Remote Similarity | NPD8299 | Approved |
0.6727 | Remote Similarity | NPD1407 | Approved |
0.6585 | Remote Similarity | NPD8451 | Approved |
0.6555 | Remote Similarity | NPD7641 | Discontinued |
0.6532 | Remote Similarity | NPD8448 | Approved |
0.6529 | Remote Similarity | NPD8444 | Approved |
0.646 | Remote Similarity | NPD5357 | Phase 1 |
0.6423 | Remote Similarity | NPD7830 | Approved |
0.6423 | Remote Similarity | NPD7829 | Approved |
0.6378 | Remote Similarity | NPD8392 | Approved |
0.6378 | Remote Similarity | NPD8390 | Approved |
0.6378 | Remote Similarity | NPD8391 | Approved |
0.6341 | Remote Similarity | NPD6436 | Phase 3 |
0.6316 | Remote Similarity | NPD6640 | Phase 3 |
0.627 | Remote Similarity | NPD8074 | Phase 3 |
0.6216 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6198 | Remote Similarity | NPD7505 | Discontinued |
0.6182 | Remote Similarity | NPD7839 | Suspended |
0.6111 | Remote Similarity | NPD7983 | Approved |
0.6105 | Remote Similarity | NPD9445 | Approved |
0.6034 | Remote Similarity | NPD4211 | Phase 1 |
0.6032 | Remote Similarity | NPD7642 | Approved |
0.6019 | Remote Similarity | NPD7838 | Discovery |
0.5938 | Remote Similarity | NPD8273 | Phase 1 |
0.5935 | Remote Similarity | NPD7500 | Approved |
0.5935 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD3716 | Discontinued |
0.5917 | Remote Similarity | NPD7116 | Clinical (unspecified phase) |
0.5893 | Remote Similarity | NPD6428 | Approved |
0.5888 | Remote Similarity | NPD4759 | Clinical (unspecified phase) |
0.582 | Remote Similarity | NPD3731 | Phase 3 |
0.5806 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5804 | Remote Similarity | NPD5381 | Approved |
0.5804 | Remote Similarity | NPD5377 | Approved |
0.5804 | Remote Similarity | NPD5378 | Approved |
0.5798 | Remote Similarity | NPD8174 | Phase 2 |
0.5758 | Remote Similarity | NPD6914 | Discontinued |
0.5748 | Remote Similarity | NPD8513 | Phase 3 |
0.5748 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.5748 | Remote Similarity | NPD8516 | Approved |
0.5748 | Remote Similarity | NPD8515 | Approved |
0.5748 | Remote Similarity | NPD8517 | Approved |
0.5727 | Remote Similarity | NPD3168 | Discontinued |
0.5727 | Remote Similarity | NPD46 | Approved |
0.5727 | Remote Similarity | NPD6698 | Approved |
0.5726 | Remote Similarity | NPD4830 | Approved |
0.5726 | Remote Similarity | NPD4832 | Approved |
0.5726 | Remote Similarity | NPD8045 | Clinical (unspecified phase) |
0.5726 | Remote Similarity | NPD4831 | Approved |
0.5703 | Remote Similarity | NPD8080 | Discontinued |
0.5703 | Remote Similarity | NPD7623 | Phase 3 |
0.5703 | Remote Similarity | NPD7624 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD6686 | Approved |
0.5662 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.5656 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5649 | Remote Similarity | NPD7747 | Phase 1 |
0.5649 | Remote Similarity | NPD7746 | Phase 1 |
0.563 | Remote Similarity | NPD5376 | Approved |
0.562 | Remote Similarity | NPD8305 | Approved |
0.562 | Remote Similarity | NPD8306 | Approved |
PubChem CID   | 23643431 |
ChEMBL   | CHEMBL251267 |
ZINC   |
Molecular Weight:   | 863.69 |
ALogP:   | -6.7816 |
MLogP:   | 5.97 |
XLogP:   | 16.951 |
# Rotatable Bonds:   | 50 |
Polar Surface Area:   | 172.43 |
# H-Bond Aceptor:   | 10 |
# H-Bond Donor:   | 7 |
# Rings:   | 1 |
# Heavy Atoms:   | 61 |