Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | = | 3.82 | ug/ml | 16872140 |
NPT139 | Cell Line | HT-29 | Homo sapiens | ED50 | = | 1.83 | ug/ml | 19928902 |
NPT83 | Cell Line | MCF7 | Homo sapiens | ED50 | = | 4.95 | ug/ml | 19928902 |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | ED50 | = | 2.17 | ug/ml | 23501116 |
NPT376 | Cell Line | A498 | Homo sapiens | ED50 | = | 1.62 | ug/ml | 18663020 |
NPT306 | Cell Line | PC-3 | Homo sapiens | ED50 | = | 1.32 | ug/ml | 22921081 |
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 NPC473520 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 |
---|---|---|
0.9545 | High Similarity | NPC475173 |
0.9545 | High Similarity | NPC473561 |
0.9545 | High Similarity | NPC473723 |
0.9545 | High Similarity | NPC473663 |
0.9302 | High Similarity | NPC241360 |
0.9302 | High Similarity | NPC132940 |
0.9302 | High Similarity | NPC293136 |
0.9195 | High Similarity | NPC476583 |
0.9195 | High Similarity | NPC20533 |
0.9195 | High Similarity | NPC258068 |
0.9186 | High Similarity | NPC77871 |
0.9186 | High Similarity | NPC39167 |
0.9186 | High Similarity | NPC202055 |
0.9186 | High Similarity | NPC39279 |
0.9186 | High Similarity | NPC9678 |
0.9186 | High Similarity | NPC473671 |
0.9186 | High Similarity | NPC292809 |
0.9186 | High Similarity | NPC319036 |
0.9186 | High Similarity | NPC470400 |
0.9186 | High Similarity | NPC475268 |
0.9186 | High Similarity | NPC235809 |
0.9186 | High Similarity | NPC25764 |
0.9186 | High Similarity | NPC473156 |
0.9091 | High Similarity | NPC169511 |
0.9091 | High Similarity | NPC133730 |
0.9091 | High Similarity | NPC320458 |
0.9091 | High Similarity | NPC473905 |
0.9091 | High Similarity | NPC261952 |
0.9091 | High Similarity | NPC81045 |
0.9091 | High Similarity | NPC287164 |
0.9091 | High Similarity | NPC151403 |
0.9091 | High Similarity | NPC171135 |
0.9091 | High Similarity | NPC242364 |
0.9091 | High Similarity | NPC61257 |
0.9091 | High Similarity | NPC320569 |
0.9091 | High Similarity | NPC172821 |
0.9091 | High Similarity | NPC191929 |
0.9091 | High Similarity | NPC274446 |
0.9091 | High Similarity | NPC39754 |
0.9091 | High Similarity | NPC234077 |
0.9091 | High Similarity | NPC100454 |
0.908 | High Similarity | NPC473840 |
0.908 | High Similarity | NPC282815 |
0.908 | High Similarity | NPC25703 |
0.908 | High Similarity | NPC219652 |
0.907 | High Similarity | NPC156804 |
0.9 | High Similarity | NPC473707 |
0.8989 | High Similarity | NPC473504 |
0.8989 | High Similarity | NPC91067 |
0.8989 | High Similarity | NPC42598 |
0.8989 | High Similarity | NPC93794 |
0.8989 | High Similarity | NPC318963 |
0.8989 | High Similarity | NPC40066 |
0.8989 | High Similarity | NPC81778 |
0.8989 | High Similarity | NPC20621 |
0.8977 | High Similarity | NPC154097 |
0.8977 | High Similarity | NPC473649 |
0.8977 | High Similarity | NPC159750 |
0.8977 | High Similarity | NPC470401 |
0.8977 | High Similarity | NPC473995 |
0.8966 | High Similarity | NPC329615 |
0.8966 | High Similarity | NPC471567 |
0.8966 | High Similarity | NPC120398 |
0.8966 | High Similarity | NPC329838 |
0.8966 | High Similarity | NPC322529 |
0.8889 | High Similarity | NPC473904 |
0.8889 | High Similarity | NPC239517 |
0.8864 | High Similarity | NPC114694 |
0.8864 | High Similarity | NPC171174 |
0.8864 | High Similarity | NPC475581 |
0.8864 | High Similarity | NPC107717 |
0.8864 | High Similarity | NPC231096 |
0.8864 | High Similarity | NPC240695 |
0.8864 | High Similarity | NPC62118 |
0.8864 | High Similarity | NPC142117 |
0.8864 | High Similarity | NPC232555 |
0.8851 | High Similarity | NPC163093 |
0.8837 | High Similarity | NPC473712 |
0.8837 | High Similarity | NPC11332 |
0.8837 | High Similarity | NPC65930 |
0.8837 | High Similarity | NPC94875 |
0.8837 | High Similarity | NPC73310 |
0.8837 | High Similarity | NPC473529 |
0.8837 | High Similarity | NPC180363 |
0.8837 | High Similarity | NPC475159 |
0.8837 | High Similarity | NPC131002 |
0.8837 | High Similarity | NPC329829 |
0.8837 | High Similarity | NPC473780 |
0.8837 | High Similarity | NPC145914 |
0.8778 | High Similarity | NPC139418 |
0.875 | High Similarity | NPC473478 |
0.875 | High Similarity | NPC82795 |
0.875 | High Similarity | NPC231009 |
0.875 | High Similarity | NPC223871 |
0.875 | High Similarity | NPC283085 |
0.875 | High Similarity | NPC473669 |
0.875 | High Similarity | NPC1083 |
0.875 | High Similarity | NPC477014 |
0.875 | High Similarity | NPC132496 |
0.875 | High Similarity | NPC110710 |
0.875 | High Similarity | NPC473651 |
0.875 | High Similarity | NPC66346 |
0.875 | High Similarity | NPC103284 |
0.875 | High Similarity | NPC107986 |
0.875 | High Similarity | NPC477018 |
0.875 | High Similarity | NPC477013 |
0.875 | High Similarity | NPC100921 |
0.875 | High Similarity | NPC286338 |
0.8736 | High Similarity | NPC144415 |
0.8736 | High Similarity | NPC253801 |
0.8667 | High Similarity | NPC280621 |
0.8667 | High Similarity | NPC21208 |
0.8667 | High Similarity | NPC20339 |
0.8667 | High Similarity | NPC40376 |
0.8667 | High Similarity | NPC89001 |
0.8667 | High Similarity | NPC48338 |
0.8667 | High Similarity | NPC233551 |
0.8652 | High Similarity | NPC134885 |
0.8652 | High Similarity | NPC134865 |
0.8652 | High Similarity | NPC477010 |
0.8652 | High Similarity | NPC309211 |
0.8652 | High Similarity | NPC69082 |
0.8652 | High Similarity | NPC473687 |
0.8652 | High Similarity | NPC279267 |
0.8652 | High Similarity | NPC134807 |
0.8652 | High Similarity | NPC477015 |
0.8652 | High Similarity | NPC308412 |
0.8652 | High Similarity | NPC210218 |
0.8652 | High Similarity | NPC219498 |
0.8652 | High Similarity | NPC103523 |
0.8652 | High Similarity | NPC204686 |
0.8571 | High Similarity | NPC477016 |
0.8571 | High Similarity | NPC477011 |
0.8571 | High Similarity | NPC477017 |
0.8556 | High Similarity | NPC178215 |
0.8495 | Intermediate Similarity | NPC11456 |
0.8444 | Intermediate Similarity | NPC112685 |
0.8444 | Intermediate Similarity | NPC47937 |
0.837 | Intermediate Similarity | NPC130359 |
0.837 | Intermediate Similarity | NPC280612 |
0.837 | Intermediate Similarity | NPC14901 |
0.8352 | Intermediate Similarity | NPC477012 |
0.8333 | Intermediate Similarity | NPC182383 |
0.8022 | Intermediate Similarity | NPC288471 |
0.7879 | Intermediate Similarity | NPC187268 |
0.7826 | Intermediate Similarity | NPC41856 |
0.7732 | Intermediate Similarity | NPC81419 |
0.7732 | Intermediate Similarity | NPC179746 |
0.7732 | Intermediate Similarity | NPC320089 |
0.7717 | Intermediate Similarity | NPC229799 |
0.7717 | Intermediate Similarity | NPC284472 |
0.7717 | Intermediate Similarity | NPC286770 |
0.7708 | Intermediate Similarity | NPC475995 |
0.7708 | Intermediate Similarity | NPC474098 |
0.7708 | Intermediate Similarity | NPC118078 |
0.7677 | Intermediate Similarity | NPC306041 |
0.7647 | Intermediate Similarity | NPC86077 |
0.7629 | Intermediate Similarity | NPC208886 |
0.7629 | Intermediate Similarity | NPC12172 |
0.7629 | Intermediate Similarity | NPC30515 |
0.7609 | Intermediate Similarity | NPC474959 |
0.7609 | Intermediate Similarity | NPC310450 |
0.7609 | Intermediate Similarity | NPC475046 |
0.7609 | Intermediate Similarity | NPC11383 |
0.7579 | Intermediate Similarity | NPC248602 |
0.7551 | Intermediate Similarity | NPC238090 |
0.7551 | Intermediate Similarity | NPC472196 |
0.7551 | Intermediate Similarity | NPC472195 |
0.7526 | Intermediate Similarity | NPC473448 |
0.7526 | Intermediate Similarity | NPC474761 |
0.7526 | Intermediate Similarity | NPC473619 |
0.7526 | Intermediate Similarity | NPC80875 |
0.7526 | Intermediate Similarity | NPC476004 |
0.7526 | Intermediate Similarity | NPC51004 |
0.7525 | Intermediate Similarity | NPC472015 |
0.75 | Intermediate Similarity | NPC54731 |
0.75 | Intermediate Similarity | NPC21693 |
0.75 | Intermediate Similarity | NPC474471 |
0.75 | Intermediate Similarity | NPC236649 |
0.75 | Intermediate Similarity | NPC469469 |
0.75 | Intermediate Similarity | NPC474917 |
0.75 | Intermediate Similarity | NPC227379 |
0.75 | Intermediate Similarity | NPC475739 |
0.75 | Intermediate Similarity | NPC153805 |
0.7475 | Intermediate Similarity | NPC159698 |
0.7475 | Intermediate Similarity | NPC474338 |
0.7474 | Intermediate Similarity | NPC475019 |
0.7474 | Intermediate Similarity | NPC474949 |
0.7471 | Intermediate Similarity | NPC84038 |
0.7453 | Intermediate Similarity | NPC219900 |
0.7453 | Intermediate Similarity | NPC177524 |
0.7453 | Intermediate Similarity | NPC475960 |
0.7453 | Intermediate Similarity | NPC392 |
0.7449 | Intermediate Similarity | NPC473321 |
0.7449 | Intermediate Similarity | NPC477349 |
0.7449 | Intermediate Similarity | NPC184463 |
0.7444 | Intermediate Similarity | NPC475711 |
0.7426 | Intermediate Similarity | NPC476612 |
0.7426 | Intermediate Similarity | NPC476613 |
0.7423 | Intermediate Similarity | NPC295312 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC473520 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 |
---|---|---|---|
0.7453 | Intermediate Similarity | NPD6686 | Approved |
0.7347 | Intermediate Similarity | NPD6698 | Approved |
0.7347 | Intermediate Similarity | NPD46 | Approved |
0.7196 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7019 | Intermediate Similarity | NPD8029 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD7838 | Discovery |
0.6786 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6765 | Remote Similarity | NPD7983 | Approved |
0.6696 | Remote Similarity | NPD6371 | Approved |
0.6475 | Remote Similarity | NPD7507 | Approved |
0.6417 | Remote Similarity | NPD8517 | Approved |
0.6417 | Remote Similarity | NPD8513 | Phase 3 |
0.6417 | Remote Similarity | NPD8515 | Approved |
0.6417 | Remote Similarity | NPD8516 | Approved |
0.6415 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6373 | Remote Similarity | NPD4250 | Approved |
0.6373 | Remote Similarity | NPD4251 | Approved |
0.6337 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.632 | Remote Similarity | NPD7319 | Approved |
0.6311 | Remote Similarity | NPD7829 | Approved |
0.6311 | Remote Similarity | NPD7830 | Approved |
0.6293 | Remote Similarity | NPD6053 | Discontinued |
0.6292 | Remote Similarity | NPD3197 | Phase 1 |
0.6283 | Remote Similarity | NPD6412 | Phase 2 |
0.6275 | Remote Similarity | NPD4249 | Approved |
0.625 | Remote Similarity | NPD1695 | Approved |
0.6238 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6198 | Remote Similarity | NPD8294 | Approved |
0.6198 | Remote Similarity | NPD8377 | Approved |
0.619 | Remote Similarity | NPD5785 | Approved |
0.6176 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6167 | Remote Similarity | NPD7328 | Approved |
0.6167 | Remote Similarity | NPD7327 | Approved |
0.6148 | Remote Similarity | NPD8296 | Approved |
0.6148 | Remote Similarity | NPD8335 | Approved |
0.6148 | Remote Similarity | NPD8379 | Approved |
0.6148 | Remote Similarity | NPD8033 | Approved |
0.6148 | Remote Similarity | NPD8378 | Approved |
0.6148 | Remote Similarity | NPD8380 | Approved |
0.6139 | Remote Similarity | NPD7154 | Phase 3 |
0.6139 | Remote Similarity | NPD5362 | Discontinued |
0.6126 | Remote Similarity | NPD5344 | Discontinued |
0.6116 | Remote Similarity | NPD7516 | Approved |
0.6091 | Remote Similarity | NPD7638 | Approved |
0.6091 | Remote Similarity | NPD4225 | Approved |
0.6055 | Remote Similarity | NPD7839 | Suspended |
0.6048 | Remote Similarity | NPD7642 | Approved |
0.604 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6036 | Remote Similarity | NPD7640 | Approved |
0.6036 | Remote Similarity | NPD7639 | Approved |
0.6034 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6033 | Remote Similarity | NPD7641 | Discontinued |
0.6032 | Remote Similarity | NPD8074 | Phase 3 |
0.602 | Remote Similarity | NPD4756 | Discovery |
0.6019 | Remote Similarity | NPD5363 | Approved |
0.6016 | Remote Similarity | NPD8444 | Approved |
0.6 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5985 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.5984 | Remote Similarity | NPD7736 | Approved |
0.5966 | Remote Similarity | NPD8133 | Approved |
0.5914 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5906 | Remote Similarity | NPD8293 | Discontinued |
0.5906 | Remote Similarity | NPD7078 | Approved |
0.5887 | Remote Similarity | NPD8266 | Approved |
0.5887 | Remote Similarity | NPD8268 | Approved |
0.5887 | Remote Similarity | NPD8267 | Approved |
0.5887 | Remote Similarity | NPD8269 | Approved |
0.5887 | Remote Similarity | NPD7503 | Approved |
0.5882 | Remote Similarity | NPD6435 | Approved |
0.5873 | Remote Similarity | NPD7492 | Approved |
0.584 | Remote Similarity | NPD6370 | Approved |
0.5827 | Remote Similarity | NPD8451 | Approved |
0.5827 | Remote Similarity | NPD6616 | Approved |
0.5825 | Remote Similarity | NPD6110 | Phase 1 |
0.5816 | Remote Similarity | NPD8039 | Approved |
0.5806 | Remote Similarity | NPD6054 | Approved |
0.58 | Remote Similarity | NPD4271 | Approved |
0.58 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD4268 | Approved |
0.5794 | Remote Similarity | NPD8328 | Phase 3 |
0.5784 | Remote Similarity | NPD4790 | Discontinued |
0.5781 | Remote Similarity | NPD8448 | Approved |
0.578 | Remote Similarity | NPD5779 | Approved |
0.578 | Remote Similarity | NPD5778 | Approved |
0.5778 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5752 | Remote Similarity | NPD6648 | Approved |
0.5741 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.5728 | Remote Similarity | NPD4269 | Approved |
0.5728 | Remote Similarity | NPD4270 | Approved |
0.5728 | Remote Similarity | NPD5209 | Approved |
0.5727 | Remote Similarity | NPD5282 | Discontinued |
0.5714 | Remote Similarity | NPD1694 | Approved |
0.5714 | Remote Similarity | NPD8080 | Discontinued |
0.5714 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5699 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5691 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5691 | Remote Similarity | NPD7500 | Approved |
0.5691 | Remote Similarity | NPD6009 | Approved |
0.5691 | Remote Similarity | NPD7115 | Discovery |
0.5686 | Remote Similarity | NPD4820 | Approved |
0.5686 | Remote Similarity | NPD4821 | Approved |
0.5686 | Remote Similarity | NPD4819 | Approved |
0.5686 | Remote Similarity | NPD4822 | Approved |
0.5686 | Remote Similarity | NPD5368 | Approved |
0.5686 | Remote Similarity | NPD4252 | Approved |
0.5682 | Remote Similarity | NPD2267 | Suspended |
0.568 | Remote Similarity | NPD6059 | Approved |
0.5673 | Remote Similarity | NPD5331 | Approved |
0.5673 | Remote Similarity | NPD5332 | Approved |
0.5669 | Remote Similarity | NPD6067 | Discontinued |
0.5667 | Remote Similarity | NPD7116 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD5786 | Approved |
0.5649 | Remote Similarity | NPD8392 | Approved |
0.5649 | Remote Similarity | NPD8391 | Approved |
0.5649 | Remote Similarity | NPD8390 | Approved |
0.5635 | Remote Similarity | NPD6015 | Approved |
0.5635 | Remote Similarity | NPD6016 | Approved |
0.5632 | Remote Similarity | NPD3730 | Approved |
0.5632 | Remote Similarity | NPD3196 | Approved |
0.5632 | Remote Similarity | NPD3194 | Approved |
0.5632 | Remote Similarity | NPD3728 | Approved |
0.5632 | Remote Similarity | NPD3195 | Phase 2 |
0.5632 | Remote Similarity | NPD4266 | Approved |
0.5631 | Remote Similarity | NPD5369 | Approved |
0.5625 | Remote Similarity | NPD8341 | Approved |
0.5625 | Remote Similarity | NPD8299 | Approved |
0.5625 | Remote Similarity | NPD8340 | Approved |
0.5625 | Remote Similarity | NPD8342 | Approved |
PubChem CID   | 10627838 |
ChEMBL   | CHEMBL444465 |
ZINC   |
Molecular Weight:   | 634.48 |
ALogP:   | -7.7523 |
MLogP:   | 4.87 |
XLogP:   | 10.753 |
# Rotatable Bonds:   | 25 |
Polar Surface Area:   | 83.45 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 45 |