Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Inhibition | = | 35.5 | % | 17958396 | |
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | > | 10000 | nM | 16038541 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10000 | nM | 19805565 |
NPT547 | Cell Line | BGC-823 | Homo sapiens | IC50 | > | 10000 | nM | 19654408 |
NPT2 | Others | Unspecified | Survival | = | 71.8 | % | 19654408 | |
NPT179 | Cell Line | A2780 | Homo sapiens | IC50 | > | 10000 | nM | 22871217 |
NPT180 | Cell Line | HCT-8 | Homo sapiens | IC50 | > | 10000 | nM | PubChem BioAssay data set |
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 NPC470684 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 | NPC470683 |
0.8817 | High Similarity | NPC276298 |
0.8667 | High Similarity | NPC98276 |
0.8667 | High Similarity | NPC259296 |
0.8602 | High Similarity | NPC22918 |
0.8495 | Intermediate Similarity | NPC148534 |
0.8404 | Intermediate Similarity | NPC50464 |
0.8387 | Intermediate Similarity | NPC258501 |
0.828 | Intermediate Similarity | NPC149018 |
0.828 | Intermediate Similarity | NPC171484 |
0.8041 | Intermediate Similarity | NPC294643 |
0.8041 | Intermediate Similarity | NPC473150 |
0.8041 | Intermediate Similarity | NPC274274 |
0.8021 | Intermediate Similarity | NPC93190 |
0.787 | Intermediate Similarity | NPC308140 |
0.783 | Intermediate Similarity | NPC98696 |
0.7822 | Intermediate Similarity | NPC76486 |
0.7798 | Intermediate Similarity | NPC476546 |
0.7778 | Intermediate Similarity | NPC477032 |
0.7778 | Intermediate Similarity | NPC124677 |
0.7778 | Intermediate Similarity | NPC477028 |
0.7757 | Intermediate Similarity | NPC40440 |
0.7757 | Intermediate Similarity | NPC22779 |
0.7757 | Intermediate Similarity | NPC42482 |
0.7757 | Intermediate Similarity | NPC194207 |
0.7757 | Intermediate Similarity | NPC218571 |
0.7757 | Intermediate Similarity | NPC475333 |
0.7757 | Intermediate Similarity | NPC150372 |
0.7757 | Intermediate Similarity | NPC95051 |
0.7757 | Intermediate Similarity | NPC46190 |
0.7757 | Intermediate Similarity | NPC470433 |
0.7757 | Intermediate Similarity | NPC6806 |
0.7757 | Intermediate Similarity | NPC244086 |
0.7757 | Intermediate Similarity | NPC309278 |
0.7757 | Intermediate Similarity | NPC475550 |
0.7757 | Intermediate Similarity | NPC224098 |
0.7757 | Intermediate Similarity | NPC232054 |
0.7757 | Intermediate Similarity | NPC300557 |
0.7757 | Intermediate Similarity | NPC477809 |
0.7757 | Intermediate Similarity | NPC102016 |
0.7757 | Intermediate Similarity | NPC171073 |
0.7757 | Intermediate Similarity | NPC84956 |
0.7757 | Intermediate Similarity | NPC248746 |
0.7757 | Intermediate Similarity | NPC73243 |
0.7757 | Intermediate Similarity | NPC249265 |
0.7757 | Intermediate Similarity | NPC208383 |
0.7736 | Intermediate Similarity | NPC470432 |
0.7736 | Intermediate Similarity | NPC305423 |
0.7736 | Intermediate Similarity | NPC113044 |
0.7736 | Intermediate Similarity | NPC161676 |
0.7736 | Intermediate Similarity | NPC94272 |
0.7736 | Intermediate Similarity | NPC14704 |
0.7736 | Intermediate Similarity | NPC283829 |
0.7736 | Intermediate Similarity | NPC230507 |
0.7727 | Intermediate Similarity | NPC208832 |
0.7727 | Intermediate Similarity | NPC477810 |
0.7706 | Intermediate Similarity | NPC254255 |
0.7706 | Intermediate Similarity | NPC19888 |
0.7685 | Intermediate Similarity | NPC23808 |
0.7685 | Intermediate Similarity | NPC247037 |
0.7685 | Intermediate Similarity | NPC224314 |
0.7685 | Intermediate Similarity | NPC87998 |
0.7685 | Intermediate Similarity | NPC222202 |
0.7685 | Intermediate Similarity | NPC477811 |
0.7685 | Intermediate Similarity | NPC269297 |
0.767 | Intermediate Similarity | NPC91497 |
0.7664 | Intermediate Similarity | NPC128123 |
0.7658 | Intermediate Similarity | NPC148965 |
0.7642 | Intermediate Similarity | NPC309448 |
0.7642 | Intermediate Similarity | NPC181845 |
0.7642 | Intermediate Similarity | NPC474569 |
0.7636 | Intermediate Similarity | NPC476693 |
0.7624 | Intermediate Similarity | NPC93869 |
0.7624 | Intermediate Similarity | NPC6765 |
0.7615 | Intermediate Similarity | NPC13193 |
0.7615 | Intermediate Similarity | NPC197231 |
0.7615 | Intermediate Similarity | NPC476547 |
0.7615 | Intermediate Similarity | NPC294129 |
0.7615 | Intermediate Similarity | NPC475247 |
0.76 | Intermediate Similarity | NPC280390 |
0.7593 | Intermediate Similarity | NPC70204 |
0.7593 | Intermediate Similarity | NPC475670 |
0.7593 | Intermediate Similarity | NPC477027 |
0.7593 | Intermediate Similarity | NPC306131 |
0.7593 | Intermediate Similarity | NPC477026 |
0.7582 | Intermediate Similarity | NPC279575 |
0.757 | Intermediate Similarity | NPC190395 |
0.757 | Intermediate Similarity | NPC226642 |
0.7568 | Intermediate Similarity | NPC32707 |
0.7568 | Intermediate Similarity | NPC167183 |
0.7547 | Intermediate Similarity | NPC475365 |
0.7547 | Intermediate Similarity | NPC475521 |
0.7545 | Intermediate Similarity | NPC31896 |
0.7545 | Intermediate Similarity | NPC42171 |
0.7545 | Intermediate Similarity | NPC32361 |
0.7545 | Intermediate Similarity | NPC210569 |
0.7545 | Intermediate Similarity | NPC263359 |
0.7545 | Intermediate Similarity | NPC244431 |
0.7527 | Intermediate Similarity | NPC170595 |
0.7525 | Intermediate Similarity | NPC274588 |
0.7524 | Intermediate Similarity | NPC272015 |
0.7523 | Intermediate Similarity | NPC141433 |
0.7522 | Intermediate Similarity | NPC475357 |
0.75 | Intermediate Similarity | NPC476541 |
0.75 | Intermediate Similarity | NPC476538 |
0.75 | Intermediate Similarity | NPC476540 |
0.75 | Intermediate Similarity | NPC475634 |
0.75 | Intermediate Similarity | NPC48463 |
0.75 | Intermediate Similarity | NPC235051 |
0.75 | Intermediate Similarity | NPC219804 |
0.75 | Intermediate Similarity | NPC49032 |
0.75 | Intermediate Similarity | NPC476539 |
0.75 | Intermediate Similarity | NPC51172 |
0.75 | Intermediate Similarity | NPC220427 |
0.75 | Intermediate Similarity | NPC125324 |
0.75 | Intermediate Similarity | NPC477031 |
0.7477 | Intermediate Similarity | NPC269627 |
0.7477 | Intermediate Similarity | NPC194842 |
0.7477 | Intermediate Similarity | NPC307642 |
0.7477 | Intermediate Similarity | NPC242748 |
0.7477 | Intermediate Similarity | NPC473476 |
0.7477 | Intermediate Similarity | NPC79900 |
0.7477 | Intermediate Similarity | NPC208594 |
0.7477 | Intermediate Similarity | NPC152584 |
0.7477 | Intermediate Similarity | NPC127801 |
0.7477 | Intermediate Similarity | NPC469347 |
0.7477 | Intermediate Similarity | NPC26798 |
0.7477 | Intermediate Similarity | NPC69737 |
0.7477 | Intermediate Similarity | NPC127235 |
0.7477 | Intermediate Similarity | NPC473923 |
0.7477 | Intermediate Similarity | NPC160816 |
0.7477 | Intermediate Similarity | NPC469348 |
0.7477 | Intermediate Similarity | NPC208477 |
0.7455 | Intermediate Similarity | NPC470748 |
0.7455 | Intermediate Similarity | NPC92710 |
0.7455 | Intermediate Similarity | NPC472715 |
0.7431 | Intermediate Similarity | NPC151134 |
0.7431 | Intermediate Similarity | NPC474573 |
0.7431 | Intermediate Similarity | NPC302057 |
0.7429 | Intermediate Similarity | NPC470168 |
0.7429 | Intermediate Similarity | NPC216911 |
0.7411 | Intermediate Similarity | NPC477808 |
0.7411 | Intermediate Similarity | NPC11548 |
0.7407 | Intermediate Similarity | NPC63368 |
0.7407 | Intermediate Similarity | NPC197813 |
0.7407 | Intermediate Similarity | NPC80338 |
0.7407 | Intermediate Similarity | NPC208650 |
0.7407 | Intermediate Similarity | NPC14946 |
0.7407 | Intermediate Similarity | NPC473469 |
0.7407 | Intermediate Similarity | NPC148270 |
0.7407 | Intermediate Similarity | NPC181467 |
0.7407 | Intermediate Similarity | NPC54619 |
0.7404 | Intermediate Similarity | NPC158088 |
0.7404 | Intermediate Similarity | NPC157739 |
0.7387 | Intermediate Similarity | NPC112274 |
0.7387 | Intermediate Similarity | NPC475312 |
0.7387 | Intermediate Similarity | NPC472716 |
0.7383 | Intermediate Similarity | NPC476360 |
0.7383 | Intermediate Similarity | NPC476361 |
0.7383 | Intermediate Similarity | NPC474464 |
0.7383 | Intermediate Similarity | NPC187400 |
0.7383 | Intermediate Similarity | NPC221562 |
0.7383 | Intermediate Similarity | NPC312774 |
0.7383 | Intermediate Similarity | NPC470885 |
0.7379 | Intermediate Similarity | NPC472989 |
0.7379 | Intermediate Similarity | NPC207617 |
0.7379 | Intermediate Similarity | NPC170527 |
0.7368 | Intermediate Similarity | NPC476692 |
0.7368 | Intermediate Similarity | NPC476691 |
0.7364 | Intermediate Similarity | NPC472717 |
0.7364 | Intermediate Similarity | NPC470867 |
0.7358 | Intermediate Similarity | NPC136816 |
0.7345 | Intermediate Similarity | NPC63609 |
0.7345 | Intermediate Similarity | NPC477029 |
0.7345 | Intermediate Similarity | NPC477030 |
0.7339 | Intermediate Similarity | NPC472897 |
0.7339 | Intermediate Similarity | NPC7213 |
0.7339 | Intermediate Similarity | NPC295980 |
0.7339 | Intermediate Similarity | NPC472896 |
0.7339 | Intermediate Similarity | NPC6931 |
0.7339 | Intermediate Similarity | NPC235824 |
0.7339 | Intermediate Similarity | NPC159005 |
0.7339 | Intermediate Similarity | NPC180183 |
0.7339 | Intermediate Similarity | NPC246124 |
0.7333 | Intermediate Similarity | NPC471247 |
0.7333 | Intermediate Similarity | NPC476211 |
0.7333 | Intermediate Similarity | NPC476320 |
0.7321 | Intermediate Similarity | NPC51154 |
0.7315 | Intermediate Similarity | NPC474015 |
0.7308 | Intermediate Similarity | NPC473555 |
0.7308 | Intermediate Similarity | NPC243728 |
0.7308 | Intermediate Similarity | NPC278939 |
0.7308 | Intermediate Similarity | NPC473890 |
0.7308 | Intermediate Similarity | NPC58267 |
0.7308 | Intermediate Similarity | NPC86843 |
0.7308 | Intermediate Similarity | NPC471770 |
0.7308 | Intermediate Similarity | NPC263674 |
0.7308 | Intermediate Similarity | NPC261372 |
0.7304 | Intermediate Similarity | NPC219656 |
0.7297 | Intermediate Similarity | NPC13190 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC470684 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 |
---|---|---|---|
0.7087 | Intermediate Similarity | NPD8171 | Discontinued |
0.7034 | Intermediate Similarity | NPD7503 | Approved |
0.7034 | Intermediate Similarity | NPD8033 | Approved |
0.6949 | Remote Similarity | NPD8294 | Approved |
0.6949 | Remote Similarity | NPD8377 | Approved |
0.6891 | Remote Similarity | NPD8379 | Approved |
0.6891 | Remote Similarity | NPD8296 | Approved |
0.6891 | Remote Similarity | NPD8335 | Approved |
0.6891 | Remote Similarity | NPD8378 | Approved |
0.6891 | Remote Similarity | NPD8380 | Approved |
0.687 | Remote Similarity | NPD8133 | Approved |
0.6786 | Remote Similarity | NPD6412 | Phase 2 |
0.678 | Remote Similarity | NPD7327 | Approved |
0.678 | Remote Similarity | NPD7328 | Approved |
0.6723 | Remote Similarity | NPD7516 | Approved |
0.6552 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.646 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6442 | Remote Similarity | NPD4251 | Approved |
0.6442 | Remote Similarity | NPD4250 | Approved |
0.6434 | Remote Similarity | NPD8450 | Suspended |
0.64 | Remote Similarity | NPD7507 | Approved |
0.6357 | Remote Similarity | NPD8449 | Approved |
0.6356 | Remote Similarity | NPD6053 | Discontinued |
0.6346 | Remote Similarity | NPD4249 | Approved |
0.6341 | Remote Similarity | NPD8513 | Phase 3 |
0.6286 | Remote Similarity | NPD7524 | Approved |
0.625 | Remote Similarity | NPD7319 | Approved |
0.6238 | Remote Similarity | NPD6928 | Phase 2 |
0.621 | Remote Similarity | NPD8515 | Approved |
0.621 | Remote Similarity | NPD8516 | Approved |
0.621 | Remote Similarity | NPD8517 | Approved |
0.616 | Remote Similarity | NPD6370 | Approved |
0.6154 | Remote Similarity | NPD6686 | Approved |
0.6154 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6058 | Remote Similarity | NPD6695 | Phase 3 |
0.6047 | Remote Similarity | NPD7736 | Approved |
0.6044 | Remote Similarity | NPD6123 | Approved |
0.6018 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6054 | Approved |
0.596 | Remote Similarity | NPD1810 | Approved |
0.596 | Remote Similarity | NPD1811 | Approved |
0.5922 | Remote Similarity | NPD4820 | Approved |
0.5922 | Remote Similarity | NPD4822 | Approved |
0.5922 | Remote Similarity | NPD4819 | Approved |
0.5922 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5922 | Remote Similarity | NPD4821 | Approved |
0.5873 | Remote Similarity | NPD6059 | Approved |
0.5846 | Remote Similarity | NPD8293 | Discontinued |
0.5846 | Remote Similarity | NPD7078 | Approved |
0.5842 | Remote Similarity | NPD6933 | Approved |
0.5833 | Remote Similarity | NPD7750 | Discontinued |
0.5827 | Remote Similarity | NPD6015 | Approved |
0.5827 | Remote Similarity | NPD6016 | Approved |
0.5814 | Remote Similarity | NPD7492 | Approved |
0.581 | Remote Similarity | NPD6435 | Approved |
0.5784 | Remote Similarity | NPD6932 | Approved |
0.5781 | Remote Similarity | NPD5988 | Approved |
0.5769 | Remote Similarity | NPD6930 | Phase 2 |
0.5769 | Remote Similarity | NPD6931 | Approved |
0.5769 | Remote Similarity | NPD6616 | Approved |
0.5763 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.576 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5736 | Remote Similarity | NPD8328 | Phase 3 |
0.5728 | Remote Similarity | NPD4268 | Approved |
0.5728 | Remote Similarity | NPD4271 | Approved |
0.5702 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5691 | Remote Similarity | NPD6882 | Approved |
0.5676 | Remote Similarity | NPD7838 | Discovery |
0.5676 | Remote Similarity | NPD46 | Approved |
0.5676 | Remote Similarity | NPD6698 | Approved |
0.5673 | Remote Similarity | NPD6929 | Approved |
0.5667 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5664 | Remote Similarity | NPD5282 | Discontinued |
0.5657 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD2686 | Approved |
0.5657 | Remote Similarity | NPD2687 | Approved |
0.5657 | Remote Similarity | NPD2254 | Approved |
0.5648 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5644 | Remote Similarity | NPD6924 | Approved |
0.5644 | Remote Similarity | NPD6926 | Approved |
0.5635 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5635 | Remote Similarity | NPD6009 | Approved |
0.5625 | Remote Similarity | NPD6319 | Approved |
0.5625 | Remote Similarity | NPD7087 | Discontinued |
0.5619 | Remote Similarity | NPD5368 | Approved |
0.5619 | Remote Similarity | NPD7525 | Registered |
0.5619 | Remote Similarity | NPD7514 | Phase 3 |
0.5615 | Remote Similarity | NPD6067 | Discontinued |
0.5607 | Remote Similarity | NPD5362 | Discontinued |
0.5607 | Remote Similarity | NPD5332 | Approved |
0.5607 | Remote Similarity | NPD7154 | Phase 3 |
0.5607 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.5607 | Remote Similarity | NPD3669 | Approved |
0.5607 | Remote Similarity | NPD5331 | Approved |
0.5606 | Remote Similarity | NPD8448 | Approved |
PubChem CID   | 71453614 |
ChEMBL   | CHEMBL2177295 |
ZINC   |
Molecular Weight:   | 696.28 |
ALogP:   | -6.707 |
MLogP:   | 2.78 |
XLogP:   | -3.299 |
# Rotatable Bonds:   | 21 |
Polar Surface Area:   | 287.14 |
# H-Bond Aceptor:   | 18 |
# H-Bond Donor:   | 11 |
# Rings:   | 6 |
# Heavy Atoms:   | 48 |