Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | = | 106000 | nM | 19645463 |
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 NPC252851 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 | NPC154908 |
1.0 | High Similarity | NPC158368 |
1.0 | High Similarity | NPC226872 |
0.9643 | High Similarity | NPC23418 |
0.7714 | Intermediate Similarity | NPC477204 |
0.7606 | Intermediate Similarity | NPC327041 |
0.7606 | Intermediate Similarity | NPC285840 |
0.7429 | Intermediate Similarity | NPC477084 |
0.7429 | Intermediate Similarity | NPC475762 |
0.7397 | Intermediate Similarity | NPC477203 |
0.7324 | Intermediate Similarity | NPC477085 |
0.7324 | Intermediate Similarity | NPC327383 |
0.7324 | Intermediate Similarity | NPC329914 |
0.7324 | Intermediate Similarity | NPC185186 |
0.726 | Intermediate Similarity | NPC469880 |
0.726 | Intermediate Similarity | NPC477202 |
0.7237 | Intermediate Similarity | NPC8538 |
0.7237 | Intermediate Similarity | NPC184208 |
0.7213 | Intermediate Similarity | NPC474496 |
0.7183 | Intermediate Similarity | NPC477087 |
0.7183 | Intermediate Similarity | NPC477086 |
0.7143 | Intermediate Similarity | NPC269841 |
0.7105 | Intermediate Similarity | NPC470147 |
0.7105 | Intermediate Similarity | NPC133226 |
0.7083 | Intermediate Similarity | NPC329890 |
0.7077 | Intermediate Similarity | NPC474267 |
0.7042 | Intermediate Similarity | NPC476012 |
0.7027 | Intermediate Similarity | NPC188860 |
0.7013 | Intermediate Similarity | NPC315731 |
0.7 | Intermediate Similarity | NPC475760 |
0.7 | Intermediate Similarity | NPC305698 |
0.6974 | Remote Similarity | NPC470148 |
0.6974 | Remote Similarity | NPC470149 |
0.6974 | Remote Similarity | NPC180725 |
0.6974 | Remote Similarity | NPC139712 |
0.697 | Remote Similarity | NPC127824 |
0.6957 | Remote Similarity | NPC284447 |
0.6933 | Remote Similarity | NPC84360 |
0.6933 | Remote Similarity | NPC474026 |
0.6933 | Remote Similarity | NPC233071 |
0.6923 | Remote Similarity | NPC10080 |
0.6923 | Remote Similarity | NPC123908 |
0.6912 | Remote Similarity | NPC477457 |
0.6912 | Remote Similarity | NPC477456 |
0.6901 | Remote Similarity | NPC472947 |
0.6901 | Remote Similarity | NPC101622 |
0.6885 | Remote Similarity | NPC474495 |
0.6885 | Remote Similarity | NPC473672 |
0.6883 | Remote Similarity | NPC474739 |
0.6857 | Remote Similarity | NPC259299 |
0.6857 | Remote Similarity | NPC73603 |
0.6842 | Remote Similarity | NPC248775 |
0.6818 | Remote Similarity | NPC122239 |
0.6818 | Remote Similarity | NPC143810 |
0.6818 | Remote Similarity | NPC83838 |
0.6806 | Remote Similarity | NPC4299 |
0.6806 | Remote Similarity | NPC469660 |
0.6806 | Remote Similarity | NPC476037 |
0.68 | Remote Similarity | NPC236228 |
0.68 | Remote Similarity | NPC256720 |
0.6769 | Remote Similarity | NPC470970 |
0.6753 | Remote Similarity | NPC476701 |
0.6753 | Remote Similarity | NPC473947 |
0.6753 | Remote Similarity | NPC477088 |
0.675 | Remote Similarity | NPC186155 |
0.675 | Remote Similarity | NPC78673 |
0.675 | Remote Similarity | NPC160517 |
0.6716 | Remote Similarity | NPC299730 |
0.6711 | Remote Similarity | NPC475711 |
0.6709 | Remote Similarity | NPC477385 |
0.6709 | Remote Similarity | NPC477390 |
0.6707 | Remote Similarity | NPC199382 |
0.6667 | Remote Similarity | NPC74722 |
0.6667 | Remote Similarity | NPC226848 |
0.6667 | Remote Similarity | NPC304690 |
0.6627 | Remote Similarity | NPC20339 |
0.6627 | Remote Similarity | NPC40376 |
0.6627 | Remote Similarity | NPC280621 |
0.6627 | Remote Similarity | NPC21208 |
0.6627 | Remote Similarity | NPC233551 |
0.6627 | Remote Similarity | NPC48338 |
0.6623 | Remote Similarity | NPC181838 |
0.6623 | Remote Similarity | NPC137345 |
0.6623 | Remote Similarity | NPC477089 |
0.6622 | Remote Similarity | NPC474705 |
0.662 | Remote Similarity | NPC472266 |
0.6615 | Remote Similarity | NPC471960 |
0.6615 | Remote Similarity | NPC477661 |
0.6615 | Remote Similarity | NPC475384 |
0.6615 | Remote Similarity | NPC470968 |
0.6615 | Remote Similarity | NPC470969 |
0.6615 | Remote Similarity | NPC161838 |
0.6615 | Remote Similarity | NPC473847 |
0.6615 | Remote Similarity | NPC470966 |
0.6615 | Remote Similarity | NPC470967 |
0.6588 | Remote Similarity | NPC476084 |
0.6588 | Remote Similarity | NPC206679 |
0.6588 | Remote Similarity | NPC114172 |
0.6588 | Remote Similarity | NPC471324 |
0.6588 | Remote Similarity | NPC476075 |
0.6585 | Remote Similarity | NPC47220 |
0.6585 | Remote Similarity | NPC186332 |
0.6585 | Remote Similarity | NPC61527 |
0.6579 | Remote Similarity | NPC301525 |
0.6575 | Remote Similarity | NPC129630 |
0.6567 | Remote Similarity | NPC159650 |
0.6567 | Remote Similarity | NPC22897 |
0.6562 | Remote Similarity | NPC256209 |
0.6562 | Remote Similarity | NPC49059 |
0.6557 | Remote Similarity | NPC98284 |
0.6538 | Remote Similarity | NPC86971 |
0.6538 | Remote Similarity | NPC471537 |
0.6538 | Remote Similarity | NPC1180 |
0.6533 | Remote Similarity | NPC24590 |
0.6533 | Remote Similarity | NPC471525 |
0.6528 | Remote Similarity | NPC272961 |
0.6528 | Remote Similarity | NPC218477 |
0.6522 | Remote Similarity | NPC473508 |
0.6522 | Remote Similarity | NPC54925 |
0.6515 | Remote Similarity | NPC52012 |
0.6515 | Remote Similarity | NPC471277 |
0.6515 | Remote Similarity | NPC471279 |
0.6512 | Remote Similarity | NPC159092 |
0.6512 | Remote Similarity | NPC109406 |
0.6506 | Remote Similarity | NPC178215 |
0.6506 | Remote Similarity | NPC477959 |
0.6494 | Remote Similarity | NPC97516 |
0.6486 | Remote Similarity | NPC84038 |
0.6479 | Remote Similarity | NPC248125 |
0.6471 | Remote Similarity | NPC177668 |
0.6471 | Remote Similarity | NPC239517 |
0.6463 | Remote Similarity | NPC477014 |
0.6463 | Remote Similarity | NPC322529 |
0.6463 | Remote Similarity | NPC477013 |
0.6463 | Remote Similarity | NPC329838 |
0.6463 | Remote Similarity | NPC120398 |
0.6463 | Remote Similarity | NPC329615 |
0.6463 | Remote Similarity | NPC471494 |
0.6463 | Remote Similarity | NPC471567 |
0.6462 | Remote Similarity | NPC473735 |
0.6462 | Remote Similarity | NPC475353 |
0.6462 | Remote Similarity | NPC477726 |
0.6462 | Remote Similarity | NPC473721 |
0.6462 | Remote Similarity | NPC473896 |
0.6462 | Remote Similarity | NPC477725 |
0.6462 | Remote Similarity | NPC223604 |
0.6462 | Remote Similarity | NPC473910 |
0.6462 | Remote Similarity | NPC473725 |
0.6456 | Remote Similarity | NPC190008 |
0.6456 | Remote Similarity | NPC127295 |
0.6456 | Remote Similarity | NPC163362 |
0.6456 | Remote Similarity | NPC469802 |
0.6438 | Remote Similarity | NPC475004 |
0.6429 | Remote Similarity | NPC34883 |
0.6429 | Remote Similarity | NPC320458 |
0.6429 | Remote Similarity | NPC25747 |
0.6429 | Remote Similarity | NPC89001 |
0.6429 | Remote Similarity | NPC473905 |
0.6429 | Remote Similarity | NPC148233 |
0.642 | Remote Similarity | NPC253801 |
0.641 | Remote Similarity | NPC474005 |
0.6406 | Remote Similarity | NPC26102 |
0.6406 | Remote Similarity | NPC477724 |
0.6406 | Remote Similarity | NPC187361 |
0.64 | Remote Similarity | NPC222244 |
0.64 | Remote Similarity | NPC55652 |
0.64 | Remote Similarity | NPC16349 |
0.6389 | Remote Similarity | NPC163290 |
0.6386 | Remote Similarity | NPC231096 |
0.6386 | Remote Similarity | NPC475581 |
0.6386 | Remote Similarity | NPC47937 |
0.6386 | Remote Similarity | NPC142117 |
0.6386 | Remote Similarity | NPC103523 |
0.6386 | Remote Similarity | NPC240695 |
0.6386 | Remote Similarity | NPC69082 |
0.6386 | Remote Similarity | NPC477015 |
0.6386 | Remote Similarity | NPC102996 |
0.6386 | Remote Similarity | NPC25703 |
0.6386 | Remote Similarity | NPC282815 |
0.6386 | Remote Similarity | NPC477389 |
0.6386 | Remote Similarity | NPC219652 |
0.6386 | Remote Similarity | NPC107717 |
0.6386 | Remote Similarity | NPC279267 |
0.6386 | Remote Similarity | NPC137253 |
0.6386 | Remote Similarity | NPC208473 |
0.6386 | Remote Similarity | NPC62118 |
0.6386 | Remote Similarity | NPC171174 |
0.6386 | Remote Similarity | NPC473840 |
0.6386 | Remote Similarity | NPC477387 |
0.6386 | Remote Similarity | NPC114694 |
0.6386 | Remote Similarity | NPC232555 |
0.6386 | Remote Similarity | NPC309211 |
0.6386 | Remote Similarity | NPC134865 |
0.6377 | Remote Similarity | NPC325929 |
0.6377 | Remote Similarity | NPC271282 |
0.6377 | Remote Similarity | NPC66460 |
0.6375 | Remote Similarity | NPC469469 |
0.6375 | Remote Similarity | NPC471661 |
0.6375 | Remote Similarity | NPC473339 |
0.6375 | Remote Similarity | NPC471552 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC252851 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 |
---|---|---|---|
0.6667 | Remote Similarity | NPD7838 | Discovery |
0.6338 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6279 | Remote Similarity | NPD46 | Approved |
0.6279 | Remote Similarity | NPD6698 | Approved |
0.6207 | Remote Similarity | NPD7983 | Approved |
0.6094 | Remote Similarity | NPD6927 | Phase 3 |
0.6066 | Remote Similarity | NPD4265 | Approved |
0.6026 | Remote Similarity | NPD8039 | Approved |
0.5978 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5974 | Remote Similarity | NPD4732 | Discontinued |
0.5946 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5942 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD2268 | Discontinued |
0.593 | Remote Similarity | NPD4251 | Approved |
0.593 | Remote Similarity | NPD4250 | Approved |
0.5854 | Remote Similarity | NPD7514 | Phase 3 |
0.5854 | Remote Similarity | NPD7332 | Phase 2 |
0.5854 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD7154 | Phase 3 |
0.5833 | Remote Similarity | NPD6695 | Phase 3 |
0.5823 | Remote Similarity | NPD8264 | Approved |
0.5814 | Remote Similarity | NPD4249 | Approved |
0.5811 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5802 | Remote Similarity | NPD4268 | Approved |
0.5802 | Remote Similarity | NPD4271 | Approved |
0.5802 | Remote Similarity | NPD7145 | Approved |
0.5783 | Remote Similarity | NPD6902 | Approved |
0.5775 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5761 | Remote Similarity | NPD7839 | Suspended |
0.5753 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5747 | Remote Similarity | NPD7750 | Discontinued |
0.5745 | Remote Similarity | NPD6648 | Approved |
0.5732 | Remote Similarity | NPD6929 | Approved |
0.573 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.5684 | Remote Similarity | NPD5344 | Discontinued |
0.5679 | Remote Similarity | NPD6925 | Approved |
0.5679 | Remote Similarity | NPD5776 | Phase 2 |
0.5679 | Remote Similarity | NPD6932 | Approved |
0.5663 | Remote Similarity | NPD6931 | Approved |
0.5663 | Remote Similarity | NPD4821 | Approved |
0.5663 | Remote Similarity | NPD4820 | Approved |
0.5663 | Remote Similarity | NPD4822 | Approved |
0.5663 | Remote Similarity | NPD6930 | Phase 2 |
0.5663 | Remote Similarity | NPD4819 | Approved |
0.5647 | Remote Similarity | NPD5362 | Discontinued |
0.5616 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD28 | Approved |
0.5606 | Remote Similarity | NPD29 | Approved |
0.5604 | Remote Similarity | NPD5779 | Approved |
0.5604 | Remote Similarity | NPD5778 | Approved |
PubChem CID   | 11146438 |
ChEMBL   | CHEMBL486054 |
ZINC   |
Molecular Weight:   | 602.48 |
ALogP:   | -1.5134 |
MLogP:   | 4.32 |
XLogP:   | 5.703 |
# Rotatable Bonds:   | 39 |
Polar Surface Area:   | 73.84 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 42 |