Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT306 | Cell Line | PC-3 | Homo sapiens | IC50 | = | 9610 | nM | 19700322 |
NPT784 | Cell Line | MDA-MB-468 | Homo sapiens | IC50 | = | 7130 | nM | 19700322 |
NPT1900 | Cell Line | DU-4475 | Homo sapiens | IC50 | = | 6120 | nM | 19700322 |
NPT90 | Cell Line | DU-145 | Homo sapiens | IC50 | > | 25000 | nM | DrugMatrix in vitro pharmacology data |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 10200 | nM | DrugMatrix in vitro pharmacology data |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | > | 25000 | nM | DrugMatrix in vitro pharmacology data |
NPT2 | Others | Unspecified | IC50 | = | 21390 | nM | 21624500 | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | IC50 | = | 10730 | nM | 22194678 |
NPT2 | Others | Unspecified | IC50 | = | 8980 | nM | 22194678 | |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 25000 | nM | 22194678 |
NPT457 | Cell Line | BT-549 | Homo sapiens | IC50 | = | 10060 | nM | 22194678 |
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 NPC469943 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 |
---|---|---|
0.8862 | High Similarity | NPC139585 |
0.8235 | Intermediate Similarity | NPC36463 |
0.8235 | Intermediate Similarity | NPC298005 |
0.8214 | Intermediate Similarity | NPC469942 |
0.8142 | Intermediate Similarity | NPC470434 |
0.814 | Intermediate Similarity | NPC477072 |
0.8125 | Intermediate Similarity | NPC475472 |
0.8106 | Intermediate Similarity | NPC180770 |
0.8106 | Intermediate Similarity | NPC302276 |
0.8074 | Intermediate Similarity | NPC214821 |
0.8074 | Intermediate Similarity | NPC298067 |
0.8062 | Intermediate Similarity | NPC119794 |
0.8062 | Intermediate Similarity | NPC73829 |
0.8 | Intermediate Similarity | NPC141669 |
0.8 | Intermediate Similarity | NPC76999 |
0.7985 | Intermediate Similarity | NPC162910 |
0.7956 | Intermediate Similarity | NPC61717 |
0.7956 | Intermediate Similarity | NPC244380 |
0.7939 | Intermediate Similarity | NPC280941 |
0.7939 | Intermediate Similarity | NPC75318 |
0.7939 | Intermediate Similarity | NPC235772 |
0.7937 | Intermediate Similarity | NPC296686 |
0.7931 | Intermediate Similarity | NPC75608 |
0.7879 | Intermediate Similarity | NPC297058 |
0.7879 | Intermediate Similarity | NPC145899 |
0.7876 | Intermediate Similarity | NPC473890 |
0.7876 | Intermediate Similarity | NPC243728 |
0.7868 | Intermediate Similarity | NPC298469 |
0.7826 | Intermediate Similarity | NPC285231 |
0.7826 | Intermediate Similarity | NPC21568 |
0.7807 | Intermediate Similarity | NPC158088 |
0.7778 | Intermediate Similarity | NPC172365 |
0.7778 | Intermediate Similarity | NPC82931 |
0.7778 | Intermediate Similarity | NPC93352 |
0.7778 | Intermediate Similarity | NPC210729 |
0.7761 | Intermediate Similarity | NPC200788 |
0.7761 | Intermediate Similarity | NPC243680 |
0.7739 | Intermediate Similarity | NPC282669 |
0.7737 | Intermediate Similarity | NPC193579 |
0.7734 | Intermediate Similarity | NPC94881 |
0.7734 | Intermediate Similarity | NPC48886 |
0.7734 | Intermediate Similarity | NPC265275 |
0.7712 | Intermediate Similarity | NPC472899 |
0.7712 | Intermediate Similarity | NPC472900 |
0.7712 | Intermediate Similarity | NPC472898 |
0.7704 | Intermediate Similarity | NPC265908 |
0.7692 | Intermediate Similarity | NPC473198 |
0.7672 | Intermediate Similarity | NPC267510 |
0.7664 | Intermediate Similarity | NPC475584 |
0.7664 | Intermediate Similarity | NPC475152 |
0.7664 | Intermediate Similarity | NPC475394 |
0.7647 | Intermediate Similarity | NPC33053 |
0.7632 | Intermediate Similarity | NPC207617 |
0.7609 | Intermediate Similarity | NPC475892 |
0.7607 | Intermediate Similarity | NPC272015 |
0.7603 | Intermediate Similarity | NPC141433 |
0.7576 | Intermediate Similarity | NPC15249 |
0.7576 | Intermediate Similarity | NPC25455 |
0.7552 | Intermediate Similarity | NPC475527 |
0.7519 | Intermediate Similarity | NPC122819 |
0.75 | Intermediate Similarity | NPC317534 |
0.75 | Intermediate Similarity | NPC475599 |
0.75 | Intermediate Similarity | NPC174336 |
0.75 | Intermediate Similarity | NPC100612 |
0.75 | Intermediate Similarity | NPC234287 |
0.75 | Intermediate Similarity | NPC113620 |
0.75 | Intermediate Similarity | NPC231340 |
0.75 | Intermediate Similarity | NPC187497 |
0.75 | Intermediate Similarity | NPC280825 |
0.7482 | Intermediate Similarity | NPC284625 |
0.7482 | Intermediate Similarity | NPC69176 |
0.7479 | Intermediate Similarity | NPC470885 |
0.7479 | Intermediate Similarity | NPC187400 |
0.7479 | Intermediate Similarity | NPC221562 |
0.7463 | Intermediate Similarity | NPC147753 |
0.7463 | Intermediate Similarity | NPC150057 |
0.7458 | Intermediate Similarity | NPC154452 |
0.7458 | Intermediate Similarity | NPC136816 |
0.7458 | Intermediate Similarity | NPC477198 |
0.7438 | Intermediate Similarity | NPC472897 |
0.7438 | Intermediate Similarity | NPC472896 |
0.7436 | Intermediate Similarity | NPC206711 |
0.7436 | Intermediate Similarity | NPC64348 |
0.7436 | Intermediate Similarity | NPC225978 |
0.7436 | Intermediate Similarity | NPC473200 |
0.7436 | Intermediate Similarity | NPC7341 |
0.7436 | Intermediate Similarity | NPC271207 |
0.7436 | Intermediate Similarity | NPC255175 |
0.7434 | Intermediate Similarity | NPC302584 |
0.7431 | Intermediate Similarity | NPC265699 |
0.7419 | Intermediate Similarity | NPC307642 |
0.7417 | Intermediate Similarity | NPC473476 |
0.7417 | Intermediate Similarity | NPC309448 |
0.7417 | Intermediate Similarity | NPC181845 |
0.7417 | Intermediate Similarity | NPC474569 |
0.7417 | Intermediate Similarity | NPC473923 |
0.7417 | Intermediate Similarity | NPC242748 |
0.7395 | Intermediate Similarity | NPC45365 |
0.7395 | Intermediate Similarity | NPC293299 |
0.7377 | Intermediate Similarity | NPC157530 |
0.7377 | Intermediate Similarity | NPC14630 |
0.7377 | Intermediate Similarity | NPC250089 |
0.7377 | Intermediate Similarity | NPC472901 |
0.7373 | Intermediate Similarity | NPC472023 |
0.7373 | Intermediate Similarity | NPC47566 |
0.7373 | Intermediate Similarity | NPC160734 |
0.7373 | Intermediate Similarity | NPC88000 |
0.7373 | Intermediate Similarity | NPC121072 |
0.7373 | Intermediate Similarity | NPC21064 |
0.7373 | Intermediate Similarity | NPC129372 |
0.7373 | Intermediate Similarity | NPC309425 |
0.7373 | Intermediate Similarity | NPC4831 |
0.7355 | Intermediate Similarity | NPC230507 |
0.7355 | Intermediate Similarity | NPC226642 |
0.7355 | Intermediate Similarity | NPC470432 |
0.7355 | Intermediate Similarity | NPC94272 |
0.7355 | Intermediate Similarity | NPC305423 |
0.7355 | Intermediate Similarity | NPC190395 |
0.7355 | Intermediate Similarity | NPC14704 |
0.7355 | Intermediate Similarity | NPC283829 |
0.7355 | Intermediate Similarity | NPC113044 |
0.7355 | Intermediate Similarity | NPC161676 |
0.735 | Intermediate Similarity | NPC476895 |
0.7339 | Intermediate Similarity | NPC216595 |
0.7339 | Intermediate Similarity | NPC473567 |
0.7328 | Intermediate Similarity | NPC189629 |
0.7317 | Intermediate Similarity | NPC103627 |
0.7317 | Intermediate Similarity | NPC65155 |
0.7317 | Intermediate Similarity | NPC191439 |
0.7317 | Intermediate Similarity | NPC170974 |
0.7311 | Intermediate Similarity | NPC312553 |
0.7311 | Intermediate Similarity | NPC288694 |
0.7311 | Intermediate Similarity | NPC159036 |
0.7302 | Intermediate Similarity | NPC146652 |
0.7295 | Intermediate Similarity | NPC476541 |
0.7295 | Intermediate Similarity | NPC295980 |
0.7295 | Intermediate Similarity | NPC476540 |
0.7295 | Intermediate Similarity | NPC476539 |
0.7295 | Intermediate Similarity | NPC476538 |
0.7295 | Intermediate Similarity | NPC295389 |
0.7295 | Intermediate Similarity | NPC98696 |
0.7286 | Intermediate Similarity | NPC803 |
0.728 | Intermediate Similarity | NPC51154 |
0.7273 | Intermediate Similarity | NPC26798 |
0.7265 | Intermediate Similarity | NPC476893 |
0.7265 | Intermediate Similarity | NPC240372 |
0.7258 | Intermediate Similarity | NPC473021 |
0.7258 | Intermediate Similarity | NPC472987 |
0.7258 | Intermediate Similarity | NPC13190 |
0.7258 | Intermediate Similarity | NPC65034 |
0.7258 | Intermediate Similarity | NPC208189 |
0.725 | Intermediate Similarity | NPC155010 |
0.725 | Intermediate Similarity | NPC286969 |
0.725 | Intermediate Similarity | NPC162354 |
0.725 | Intermediate Similarity | NPC31907 |
0.725 | Intermediate Similarity | NPC8039 |
0.725 | Intermediate Similarity | NPC211879 |
0.725 | Intermediate Similarity | NPC213190 |
0.725 | Intermediate Similarity | NPC114874 |
0.725 | Intermediate Similarity | NPC245280 |
0.725 | Intermediate Similarity | NPC473020 |
0.725 | Intermediate Similarity | NPC16573 |
0.725 | Intermediate Similarity | NPC131479 |
0.725 | Intermediate Similarity | NPC157659 |
0.725 | Intermediate Similarity | NPC189852 |
0.725 | Intermediate Similarity | NPC472252 |
0.725 | Intermediate Similarity | NPC120123 |
0.725 | Intermediate Similarity | NPC16520 |
0.7246 | Intermediate Similarity | NPC287885 |
0.7241 | Intermediate Similarity | NPC476894 |
0.7239 | Intermediate Similarity | NPC201359 |
0.7236 | Intermediate Similarity | NPC42482 |
0.7236 | Intermediate Similarity | NPC309278 |
0.7236 | Intermediate Similarity | NPC84956 |
0.7236 | Intermediate Similarity | NPC102016 |
0.7236 | Intermediate Similarity | NPC40440 |
0.7236 | Intermediate Similarity | NPC150372 |
0.7236 | Intermediate Similarity | NPC208383 |
0.7236 | Intermediate Similarity | NPC46190 |
0.7236 | Intermediate Similarity | NPC473328 |
0.7236 | Intermediate Similarity | NPC224098 |
0.7236 | Intermediate Similarity | NPC246205 |
0.7236 | Intermediate Similarity | NPC475333 |
0.7236 | Intermediate Similarity | NPC300557 |
0.7236 | Intermediate Similarity | NPC475550 |
0.7236 | Intermediate Similarity | NPC6806 |
0.7236 | Intermediate Similarity | NPC302057 |
0.7236 | Intermediate Similarity | NPC306131 |
0.7236 | Intermediate Similarity | NPC477809 |
0.7236 | Intermediate Similarity | NPC244086 |
0.7236 | Intermediate Similarity | NPC477027 |
0.7236 | Intermediate Similarity | NPC218571 |
0.7236 | Intermediate Similarity | NPC248746 |
0.7236 | Intermediate Similarity | NPC232054 |
0.7236 | Intermediate Similarity | NPC473318 |
0.7236 | Intermediate Similarity | NPC70204 |
0.7236 | Intermediate Similarity | NPC95051 |
0.7236 | Intermediate Similarity | NPC28844 |
0.7236 | Intermediate Similarity | NPC477026 |
0.7236 | Intermediate Similarity | NPC194207 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC469943 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 |
---|---|---|---|
0.7731 | Intermediate Similarity | NPD8174 | Phase 2 |
0.7519 | Intermediate Similarity | NPD8449 | Approved |
0.7463 | Intermediate Similarity | NPD8450 | Suspended |
0.7043 | Intermediate Similarity | NPD8522 | Clinical (unspecified phase) |
0.6935 | Remote Similarity | NPD6412 | Phase 2 |
0.6861 | Remote Similarity | NPD6914 | Discontinued |
0.6855 | Remote Similarity | NPD6640 | Phase 3 |
0.6849 | Remote Similarity | NPD7625 | Phase 1 |
0.6767 | Remote Similarity | NPD8033 | Approved |
0.6692 | Remote Similarity | NPD8377 | Approved |
0.6692 | Remote Similarity | NPD8294 | Approved |
0.6667 | Remote Similarity | NPD6430 | Approved |
0.6667 | Remote Similarity | NPD7328 | Approved |
0.6667 | Remote Similarity | NPD7327 | Approved |
0.6667 | Remote Similarity | NPD6429 | Approved |
0.6642 | Remote Similarity | NPD8379 | Approved |
0.6642 | Remote Similarity | NPD7503 | Approved |
0.6642 | Remote Similarity | NPD8380 | Approved |
0.6642 | Remote Similarity | NPD8378 | Approved |
0.6642 | Remote Similarity | NPD8296 | Approved |
0.6642 | Remote Similarity | NPD8335 | Approved |
0.6617 | Remote Similarity | NPD7516 | Approved |
0.6512 | Remote Similarity | NPD6421 | Discontinued |
0.6496 | Remote Similarity | NPD7524 | Approved |
0.6484 | Remote Similarity | NPD6686 | Approved |
0.6475 | Remote Similarity | NPD8337 | Approved |
0.6475 | Remote Similarity | NPD8336 | Approved |
0.6457 | Remote Similarity | NPD5357 | Phase 1 |
0.6429 | Remote Similarity | NPD1407 | Approved |
0.6379 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6377 | Remote Similarity | NPD8340 | Approved |
0.6377 | Remote Similarity | NPD8299 | Approved |
0.6377 | Remote Similarity | NPD8342 | Approved |
0.6377 | Remote Similarity | NPD8341 | Approved |
0.6331 | Remote Similarity | NPD7507 | Approved |
0.6311 | Remote Similarity | NPD5771 | Approved |
0.6301 | Remote Similarity | NPD6333 | Approved |
0.6301 | Remote Similarity | NPD6334 | Approved |
0.6293 | Remote Similarity | NPD6695 | Phase 3 |
0.6268 | Remote Similarity | NPD8390 | Approved |
0.6268 | Remote Similarity | NPD8392 | Approved |
0.6268 | Remote Similarity | NPD8391 | Approved |
0.6241 | Remote Similarity | NPD8133 | Approved |
0.6232 | Remote Similarity | NPD6436 | Phase 3 |
0.6218 | Remote Similarity | NPD7750 | Discontinued |
0.6214 | Remote Similarity | NPD8451 | Approved |
0.6197 | Remote Similarity | NPD7319 | Approved |
0.6183 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.617 | Remote Similarity | NPD8448 | Approved |
0.6148 | Remote Similarity | NPD6940 | Discontinued |
0.6144 | Remote Similarity | NPD7274 | Clinical (unspecified phase) |
0.6136 | Remote Similarity | NPD6420 | Discontinued |
0.6129 | Remote Similarity | NPD7991 | Discontinued |
0.6119 | Remote Similarity | NPD3731 | Phase 3 |
0.6103 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.6098 | Remote Similarity | NPD8171 | Discontinued |
0.6087 | Remote Similarity | NPD6929 | Approved |
0.6083 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.6069 | Remote Similarity | NPD8338 | Approved |
0.6056 | Remote Similarity | NPD8074 | Phase 3 |
0.6034 | Remote Similarity | NPD6931 | Approved |
0.6034 | Remote Similarity | NPD6930 | Phase 2 |
0.6029 | Remote Similarity | NPD4831 | Approved |
0.6029 | Remote Similarity | NPD4830 | Approved |
0.6029 | Remote Similarity | NPD4832 | Approved |
0.6018 | Remote Similarity | NPD6942 | Approved |
0.6018 | Remote Similarity | NPD7339 | Approved |
0.6014 | Remote Similarity | NPD7736 | Approved |
0.6 | Remote Similarity | NPD6370 | Approved |
0.5985 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5957 | Remote Similarity | NPD7829 | Approved |
0.5957 | Remote Similarity | NPD8328 | Phase 3 |
0.5957 | Remote Similarity | NPD7122 | Discontinued |
0.5957 | Remote Similarity | NPD7830 | Approved |
0.5954 | Remote Similarity | NPD7333 | Discontinued |
0.5946 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.5944 | Remote Similarity | NPD8293 | Discontinued |
0.5942 | Remote Similarity | NPD7641 | Discontinued |
0.5938 | Remote Similarity | NPD8418 | Phase 2 |
0.5938 | Remote Similarity | NPD7639 | Approved |
0.5938 | Remote Similarity | NPD7640 | Approved |
0.5935 | Remote Similarity | NPD3168 | Discontinued |
0.5929 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.5929 | Remote Similarity | NPD8444 | Approved |
0.5913 | Remote Similarity | NPD6925 | Approved |
0.5913 | Remote Similarity | NPD5776 | Phase 2 |
0.5897 | Remote Similarity | NPD7514 | Phase 3 |
0.5897 | Remote Similarity | NPD7525 | Registered |
0.5887 | Remote Similarity | NPD7637 | Suspended |
0.5887 | Remote Similarity | NPD8080 | Discontinued |
0.5887 | Remote Similarity | NPD7087 | Discontinued |
0.5882 | Remote Similarity | NPD8470 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD7115 | Discovery |
0.5862 | Remote Similarity | NPD7145 | Approved |
0.5859 | Remote Similarity | NPD7638 | Approved |
0.5857 | Remote Similarity | NPD6054 | Approved |
0.5857 | Remote Similarity | NPD6059 | Approved |
0.5847 | Remote Similarity | NPD6902 | Approved |
0.584 | Remote Similarity | NPD6399 | Phase 3 |
0.5833 | Remote Similarity | NPD4211 | Phase 1 |
0.5826 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5826 | Remote Similarity | NPD6933 | Approved |
0.5816 | Remote Similarity | NPD8515 | Approved |
0.5816 | Remote Similarity | NPD6909 | Approved |
0.5816 | Remote Similarity | NPD8513 | Phase 3 |
0.5816 | Remote Similarity | NPD6908 | Approved |
0.5816 | Remote Similarity | NPD8516 | Approved |
0.5816 | Remote Similarity | NPD8517 | Approved |
0.5814 | Remote Similarity | NPD6404 | Discontinued |
0.5785 | Remote Similarity | NPD6893 | Approved |
0.5772 | Remote Similarity | NPD8415 | Approved |
0.5769 | Remote Similarity | NPD4159 | Approved |
0.5763 | Remote Similarity | NPD7332 | Phase 2 |
0.5735 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5734 | Remote Similarity | NPD7642 | Approved |
0.5734 | Remote Similarity | NPD6067 | Discontinued |
0.5714 | Remote Similarity | NPD9445 | Approved |
0.5704 | Remote Similarity | NPD6015 | Approved |
0.5704 | Remote Similarity | NPD6016 | Approved |
0.5702 | Remote Similarity | NPD4786 | Approved |
0.5694 | Remote Similarity | NPD7492 | Approved |
0.5693 | Remote Similarity | NPD7337 | Clinical (unspecified phase) |
0.5693 | Remote Similarity | NPD7336 | Phase 2 |
0.5693 | Remote Similarity | NPD7335 | Phase 2 |
0.5683 | Remote Similarity | NPD7755 | Approved |
0.5683 | Remote Similarity | NPD7754 | Approved |
0.5678 | Remote Similarity | NPD7645 | Phase 2 |
0.5676 | Remote Similarity | NPD7260 | Phase 2 |
0.5672 | Remote Similarity | NPD8307 | Discontinued |
0.5669 | Remote Similarity | NPD5769 | Clinical (unspecified phase) |
0.5664 | Remote Similarity | NPD5988 | Approved |
0.5655 | Remote Similarity | NPD6616 | Approved |
0.5652 | Remote Similarity | NPD6926 | Approved |
0.5652 | Remote Similarity | NPD6924 | Approved |
0.5645 | Remote Similarity | NPD4723 | Approved |
0.5645 | Remote Similarity | NPD4722 | Approved |
0.5644 | Remote Similarity | NPD8417 | Discontinued |
0.5643 | Remote Similarity | NPD6009 | Approved |
0.5641 | Remote Similarity | NPD6932 | Approved |
0.5639 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.563 | Remote Similarity | NPD6928 | Phase 2 |
0.5625 | Remote Similarity | NPD7604 | Phase 2 |
0.5616 | Remote Similarity | NPD7078 | Approved |
0.5615 | Remote Similarity | NPD4225 | Approved |
0.56 | Remote Similarity | NPD6051 | Approved |
PubChem CID   | 52947463 |
ChEMBL   | CHEMBL1288407 |
ZINC   |
Molecular Weight:   | 605.43 |
ALogP:   | -0.8131 |
MLogP:   | 4.43 |
XLogP:   | 8.175 |
# Rotatable Bonds:   | 20 |
Polar Surface Area:   | 131.97 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 5 |
# Rings:   | 5 |
# Heavy Atoms:   | 43 |