Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT111 | Cell Line | K562 | Homo sapiens | IC50 | > | 100000 | nM | DrugMatrix in vitro pharmacology data |
NPT2 | Others | Unspecified | IC50 | > | 100000 | nM | DrugMatrix in vitro pharmacology data | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | > | 100000 | nM | 14698179 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 100000 | nM | 14698179 |
NPT2 | Others | Unspecified | IC50 | > | 100000 | nM | 10785422 | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | > | 100000 | nM | 12608844 |
NPT2 | Others | Unspecified | IC50 | > | 100000 | nM | 12608844 |
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 NPC472615 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 |
---|---|---|
0.9694 | High Similarity | NPC472616 |
0.8585 | High Similarity | NPC133729 |
0.8351 | Intermediate Similarity | NPC472614 |
0.8056 | Intermediate Similarity | NPC251330 |
0.7963 | Intermediate Similarity | NPC271269 |
0.7941 | Intermediate Similarity | NPC472613 |
0.7739 | Intermediate Similarity | NPC316325 |
0.7658 | Intermediate Similarity | NPC307903 |
0.7658 | Intermediate Similarity | NPC140251 |
0.7636 | Intermediate Similarity | NPC154601 |
0.7632 | Intermediate Similarity | NPC5485 |
0.7586 | Intermediate Similarity | NPC59751 |
0.7586 | Intermediate Similarity | NPC27413 |
0.7586 | Intermediate Similarity | NPC271621 |
0.75 | Intermediate Similarity | NPC315652 |
0.75 | Intermediate Similarity | NPC7905 |
0.7456 | Intermediate Similarity | NPC170375 |
0.7407 | Intermediate Similarity | NPC234542 |
0.74 | Intermediate Similarity | NPC477786 |
0.74 | Intermediate Similarity | NPC477784 |
0.74 | Intermediate Similarity | NPC477785 |
0.7395 | Intermediate Similarity | NPC473808 |
0.7373 | Intermediate Similarity | NPC296361 |
0.7339 | Intermediate Similarity | NPC473224 |
0.7333 | Intermediate Similarity | NPC315915 |
0.7297 | Intermediate Similarity | NPC474563 |
0.7213 | Intermediate Similarity | NPC16709 |
0.7119 | Intermediate Similarity | NPC471645 |
0.708 | Intermediate Similarity | NPC14537 |
0.7064 | Intermediate Similarity | NPC175614 |
0.704 | Intermediate Similarity | NPC473249 |
0.7031 | Intermediate Similarity | NPC314361 |
0.7018 | Intermediate Similarity | NPC473252 |
0.7009 | Intermediate Similarity | NPC142838 |
0.6975 | Remote Similarity | NPC476813 |
0.6975 | Remote Similarity | NPC476814 |
0.6964 | Remote Similarity | NPC316250 |
0.6952 | Remote Similarity | NPC472007 |
0.6949 | Remote Similarity | NPC469865 |
0.6923 | Remote Similarity | NPC122926 |
0.6923 | Remote Similarity | NPC261380 |
0.6923 | Remote Similarity | NPC113012 |
0.6916 | Remote Similarity | NPC265856 |
0.6916 | Remote Similarity | NPC166554 |
0.6903 | Remote Similarity | NPC128501 |
0.69 | Remote Similarity | NPC192006 |
0.69 | Remote Similarity | NPC231739 |
0.6881 | Remote Similarity | NPC65829 |
0.6863 | Remote Similarity | NPC474980 |
0.6857 | Remote Similarity | NPC315395 |
0.6857 | Remote Similarity | NPC316426 |
0.6857 | Remote Similarity | NPC258824 |
0.6857 | Remote Similarity | NPC472009 |
0.6852 | Remote Similarity | NPC314500 |
0.6846 | Remote Similarity | NPC78189 |
0.6818 | Remote Similarity | NPC230889 |
0.6807 | Remote Similarity | NPC476269 |
0.68 | Remote Similarity | NPC471061 |
0.6796 | Remote Similarity | NPC85772 |
0.6796 | Remote Similarity | NPC7414 |
0.6789 | Remote Similarity | NPC469692 |
0.6789 | Remote Similarity | NPC469645 |
0.6762 | Remote Similarity | NPC11804 |
0.6762 | Remote Similarity | NPC187529 |
0.6762 | Remote Similarity | NPC125290 |
0.6759 | Remote Similarity | NPC471399 |
0.6754 | Remote Similarity | NPC469598 |
0.6733 | Remote Similarity | NPC478122 |
0.6733 | Remote Similarity | NPC121200 |
0.6731 | Remote Similarity | NPC471595 |
0.6731 | Remote Similarity | NPC161045 |
0.6731 | Remote Similarity | NPC16488 |
0.6729 | Remote Similarity | NPC472008 |
0.6727 | Remote Similarity | NPC121825 |
0.6727 | Remote Similarity | NPC116930 |
0.6721 | Remote Similarity | NPC475642 |
0.6719 | Remote Similarity | NPC477793 |
0.6719 | Remote Similarity | NPC329919 |
0.6699 | Remote Similarity | NPC47031 |
0.6698 | Remote Similarity | NPC476982 |
0.6696 | Remote Similarity | NPC476344 |
0.6696 | Remote Similarity | NPC40812 |
0.6695 | Remote Similarity | NPC473578 |
0.6694 | Remote Similarity | NPC50694 |
0.6667 | Remote Similarity | NPC150041 |
0.6667 | Remote Similarity | NPC475800 |
0.6667 | Remote Similarity | NPC113363 |
0.6667 | Remote Similarity | NPC316249 |
0.6667 | Remote Similarity | NPC70424 |
0.6667 | Remote Similarity | NPC243618 |
0.6667 | Remote Similarity | NPC315531 |
0.6641 | Remote Similarity | NPC204556 |
0.664 | Remote Similarity | NPC475383 |
0.664 | Remote Similarity | NPC156379 |
0.6639 | Remote Similarity | NPC476290 |
0.6639 | Remote Similarity | NPC30196 |
0.6637 | Remote Similarity | NPC187761 |
0.6637 | Remote Similarity | NPC83895 |
0.6636 | Remote Similarity | NPC471738 |
0.6636 | Remote Similarity | NPC72513 |
0.6634 | Remote Similarity | NPC281296 |
0.6614 | Remote Similarity | NPC469494 |
0.6614 | Remote Similarity | NPC204639 |
0.661 | Remote Similarity | NPC475150 |
0.6609 | Remote Similarity | NPC39996 |
0.6607 | Remote Similarity | NPC473291 |
0.6607 | Remote Similarity | NPC123141 |
0.6606 | Remote Similarity | NPC145666 |
0.6606 | Remote Similarity | NPC473448 |
0.6604 | Remote Similarity | NPC137033 |
0.6604 | Remote Similarity | NPC28887 |
0.6602 | Remote Similarity | NPC115418 |
0.66 | Remote Similarity | NPC199445 |
0.6585 | Remote Similarity | NPC476190 |
0.6585 | Remote Similarity | NPC201968 |
0.6585 | Remote Similarity | NPC6531 |
0.6583 | Remote Similarity | NPC21713 |
0.6583 | Remote Similarity | NPC475608 |
0.6583 | Remote Similarity | NPC12270 |
0.6574 | Remote Similarity | NPC476803 |
0.6574 | Remote Similarity | NPC316186 |
0.6569 | Remote Similarity | NPC475994 |
0.6565 | Remote Similarity | NPC96425 |
0.6555 | Remote Similarity | NPC474725 |
0.6552 | Remote Similarity | NPC475050 |
0.6549 | Remote Similarity | NPC265662 |
0.6549 | Remote Similarity | NPC20066 |
0.6545 | Remote Similarity | NPC261607 |
0.6545 | Remote Similarity | NPC300312 |
0.6545 | Remote Similarity | NPC111114 |
0.6545 | Remote Similarity | NPC476705 |
0.6542 | Remote Similarity | NPC469483 |
0.6542 | Remote Similarity | NPC261721 |
0.6542 | Remote Similarity | NPC164393 |
0.6542 | Remote Similarity | NPC469910 |
0.6538 | Remote Similarity | NPC275766 |
0.6535 | Remote Similarity | NPC279537 |
0.6525 | Remote Similarity | NPC469853 |
0.6522 | Remote Similarity | NPC46998 |
0.6522 | Remote Similarity | NPC185141 |
0.6522 | Remote Similarity | NPC110443 |
0.6522 | Remote Similarity | NPC128733 |
0.6522 | Remote Similarity | NPC115862 |
0.6522 | Remote Similarity | NPC133907 |
0.6518 | Remote Similarity | NPC54905 |
0.6518 | Remote Similarity | NPC272050 |
0.6518 | Remote Similarity | NPC314009 |
0.6514 | Remote Similarity | NPC477215 |
0.6514 | Remote Similarity | NPC476388 |
0.6514 | Remote Similarity | NPC212598 |
0.6509 | Remote Similarity | NPC9868 |
0.6509 | Remote Similarity | NPC472326 |
0.6508 | Remote Similarity | NPC469515 |
0.6505 | Remote Similarity | NPC164308 |
0.6505 | Remote Similarity | NPC201225 |
0.65 | Remote Similarity | NPC160540 |
0.65 | Remote Similarity | NPC477997 |
0.65 | Remote Similarity | NPC29133 |
0.6496 | Remote Similarity | NPC74035 |
0.6491 | Remote Similarity | NPC316598 |
0.6491 | Remote Similarity | NPC261377 |
0.6491 | Remote Similarity | NPC300584 |
0.6491 | Remote Similarity | NPC255592 |
0.6491 | Remote Similarity | NPC161855 |
0.6491 | Remote Similarity | NPC308567 |
0.6481 | Remote Similarity | NPC179659 |
0.6481 | Remote Similarity | NPC86005 |
0.648 | Remote Similarity | NPC241050 |
0.6476 | Remote Similarity | NPC474291 |
0.6476 | Remote Similarity | NPC475690 |
0.6471 | Remote Similarity | NPC70235 |
0.6462 | Remote Similarity | NPC471586 |
0.646 | Remote Similarity | NPC165332 |
0.646 | Remote Similarity | NPC180722 |
0.646 | Remote Similarity | NPC195645 |
0.6455 | Remote Similarity | NPC313670 |
0.6455 | Remote Similarity | NPC476004 |
0.6455 | Remote Similarity | NPC477684 |
0.6455 | Remote Similarity | NPC316228 |
0.6455 | Remote Similarity | NPC474761 |
0.6449 | Remote Similarity | NPC470755 |
0.6446 | Remote Similarity | NPC470961 |
0.6446 | Remote Similarity | NPC29501 |
0.6442 | Remote Similarity | NPC470946 |
0.6442 | Remote Similarity | NPC271104 |
0.6442 | Remote Similarity | NPC470945 |
0.6442 | Remote Similarity | NPC470947 |
0.6441 | Remote Similarity | NPC469852 |
0.6436 | Remote Similarity | NPC60718 |
0.6429 | Remote Similarity | NPC472976 |
0.6429 | Remote Similarity | NPC167219 |
0.6429 | Remote Similarity | NPC233770 |
0.6429 | Remote Similarity | NPC53685 |
0.6429 | Remote Similarity | NPC472977 |
0.6429 | Remote Similarity | NPC5418 |
0.6429 | Remote Similarity | NPC77481 |
0.6423 | Remote Similarity | NPC67259 |
0.6423 | Remote Similarity | NPC147912 |
0.6422 | Remote Similarity | NPC476805 |
0.6422 | Remote Similarity | NPC476708 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC472615 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 |
---|---|---|---|
0.7928 | Intermediate Similarity | NPD7116 | Clinical (unspecified phase) |
0.7739 | Intermediate Similarity | NPD7500 | Approved |
0.7456 | Intermediate Similarity | NPD7601 | Clinical (unspecified phase) |
0.7273 | Intermediate Similarity | NPD7623 | Phase 3 |
0.7273 | Intermediate Similarity | NPD7624 | Clinical (unspecified phase) |
0.7087 | Intermediate Similarity | NPD5363 | Approved |
0.7049 | Intermediate Similarity | NPD7739 | Clinical (unspecified phase) |
0.704 | Intermediate Similarity | NPD7747 | Phase 1 |
0.704 | Intermediate Similarity | NPD7746 | Phase 1 |
0.6838 | Remote Similarity | NPD6413 | Approved |
0.6829 | Remote Similarity | NPD7299 | Clinical (unspecified phase) |
0.6796 | Remote Similarity | NPD4270 | Approved |
0.6796 | Remote Similarity | NPD4269 | Approved |
0.6759 | Remote Similarity | NPD5785 | Approved |
0.6639 | Remote Similarity | NPD6421 | Discontinued |
0.6639 | Remote Similarity | NPD6420 | Discontinued |
0.6602 | Remote Similarity | NPD4252 | Approved |
0.6583 | Remote Similarity | NPD1719 | Phase 1 |
0.6542 | Remote Similarity | NPD5786 | Approved |
0.6538 | Remote Similarity | NPD5369 | Approved |
0.646 | Remote Similarity | NPD7839 | Suspended |
0.6452 | Remote Similarity | NPD7505 | Discontinued |
0.6408 | Remote Similarity | NPD3732 | Approved |
0.6396 | Remote Similarity | NPD7983 | Approved |
0.6339 | Remote Similarity | NPD5779 | Approved |
0.6339 | Remote Similarity | NPD5778 | Approved |
0.632 | Remote Similarity | NPD7115 | Discovery |
0.6306 | Remote Similarity | NPD6698 | Approved |
0.6306 | Remote Similarity | NPD46 | Approved |
0.6293 | Remote Similarity | NPD6404 | Discontinued |
0.6279 | Remote Similarity | NPD7642 | Approved |
0.6262 | Remote Similarity | NPD7154 | Phase 3 |
0.6262 | Remote Similarity | NPD5362 | Discontinued |
0.626 | Remote Similarity | NPD8074 | Phase 3 |
0.625 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.623 | Remote Similarity | NPD6371 | Approved |
0.6142 | Remote Similarity | NPD7641 | Discontinued |
0.6134 | Remote Similarity | NPD2259 | Approved |
0.6134 | Remote Similarity | NPD2258 | Approved |
0.6132 | Remote Similarity | NPD4820 | Approved |
0.6132 | Remote Similarity | NPD4822 | Approved |
0.6132 | Remote Similarity | NPD4819 | Approved |
0.6132 | Remote Similarity | NPD4821 | Approved |
0.6106 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.608 | Remote Similarity | NPD1376 | Discontinued |
0.6071 | Remote Similarity | NPD5370 | Suspended |
0.6071 | Remote Similarity | NPD6101 | Approved |
0.6071 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6068 | Remote Similarity | NPD4225 | Approved |
0.6068 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD8273 | Phase 1 |
0.6053 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.6043 | Remote Similarity | NPD6334 | Approved |
0.6043 | Remote Similarity | NPD6333 | Approved |
0.6034 | Remote Similarity | NPD4228 | Discovery |
0.6 | Remote Similarity | NPD4756 | Discovery |
0.5985 | Remote Similarity | NPD8341 | Approved |
0.5985 | Remote Similarity | NPD8340 | Approved |
0.5985 | Remote Similarity | NPD8299 | Approved |
0.5985 | Remote Similarity | NPD8342 | Approved |
0.5984 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5965 | Remote Similarity | NPD6411 | Approved |
0.5963 | Remote Similarity | NPD5331 | Approved |
0.5963 | Remote Similarity | NPD5332 | Approved |
0.596 | Remote Similarity | NPD7331 | Phase 2 |
0.5943 | Remote Similarity | NPD4268 | Approved |
0.5943 | Remote Similarity | NPD4271 | Approved |
0.5926 | Remote Similarity | NPD4790 | Discontinued |
0.5909 | Remote Similarity | NPD7830 | Approved |
0.5909 | Remote Similarity | NPD7829 | Approved |
0.5882 | Remote Similarity | NPD6914 | Discontinued |
0.5877 | Remote Similarity | NPD7838 | Discovery |
0.5833 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD5368 | Approved |
0.5826 | Remote Similarity | NPD7515 | Phase 2 |
0.5821 | Remote Similarity | NPD8451 | Approved |
0.5818 | Remote Similarity | NPD6110 | Phase 1 |
0.5778 | Remote Similarity | NPD8448 | Approved |
0.5766 | Remote Similarity | NPD8392 | Approved |
0.5766 | Remote Similarity | NPD8390 | Approved |
0.5766 | Remote Similarity | NPD8391 | Approved |
0.5758 | Remote Similarity | NPD8444 | Approved |
0.5758 | Remote Similarity | NPD3197 | Phase 1 |
0.5727 | Remote Similarity | NPD6435 | Approved |
0.5727 | Remote Similarity | NPD4800 | Clinical (unspecified phase) |
0.5726 | Remote Similarity | NPD5282 | Discontinued |
0.5714 | Remote Similarity | NPD1694 | Approved |
0.5714 | Remote Similarity | NPD2838 | Clinical (unspecified phase) |
0.5702 | Remote Similarity | NPD5344 | Discontinued |
0.57 | Remote Similarity | NPD7341 | Phase 2 |
0.5692 | Remote Similarity | NPD6935 | Phase 3 |
0.5692 | Remote Similarity | NPD6936 | Clinical (unspecified phase) |
0.569 | Remote Similarity | NPD7637 | Suspended |
0.5688 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5669 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5649 | Remote Similarity | NPD6918 | Phase 1 |
0.5648 | Remote Similarity | NPD7917 | Clinical (unspecified phase) |
0.5648 | Remote Similarity | NPD7918 | Clinical (unspecified phase) |
0.5645 | Remote Similarity | NPD4211 | Phase 1 |
0.5641 | Remote Similarity | NPD6399 | Phase 3 |
0.5639 | Remote Similarity | NPD8515 | Approved |
0.5639 | Remote Similarity | NPD8517 | Approved |
0.5639 | Remote Similarity | NPD8516 | Approved |
0.5639 | Remote Similarity | NPD8513 | Phase 3 |
0.5612 | Remote Similarity | NPD7260 | Phase 2 |
0.5603 | Remote Similarity | NPD8415 | Approved |
0.5603 | Remote Similarity | NPD6095 | Approved |
0.5603 | Remote Similarity | NPD6094 | Approved |
PubChem CID   | |
ChEMBL   | CHEMBL3581259 |
ZINC   |
Molecular Weight:   | 421.25 |
ALogP:   | 0.1756 |
MLogP:   | 3.22 |
XLogP:   | 3.627 |
# Rotatable Bonds:   | 19 |
Polar Surface Area:   | 127.42 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 4 |
# Rings:   | 1 |
# Heavy Atoms:   | 30 |