Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | > | 20 | ug/ml | 12852747 |
NPT83 | Cell Line | MCF7 | Homo sapiens | ED50 | = | 15.5 | ug/ml | 12852747 |
NPT306 | Cell Line | PC-3 | Homo sapiens | ED50 | > | 20 | ug/ml | 12852747 |
NPT307 | Cell Line | HOS | Homo sapiens | ED50 | > | 20 | ug/ml | 12852747 |
NPT180 | Cell Line | HCT-8 | Homo sapiens | ED50 | > | 20 | ug/ml | 12852747 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | > | 20 | ug/ml | 12852747 |
NPT309 | Cell Line | 1A9 | Homo sapiens | ED50 | = | 0.52 | ug/ml | 12852747 |
NPT310 | Cell Line | 1A9/ptx-10 | Homo sapiens | Inhibition | = | 26 | % | 12852747 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 20 | ug/ml | 12852747 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 1.78 | ug/ml | 11473425 |
NPT2 | Others | Unspecified | IC50 | = | 0.00429 | ug/ml | 11473425 | |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 1.78 | ug/ml | 11975482 |
NPT2 | Others | Unspecified | IC50 | = | 0.00429 | ug/ml | 11975482 |
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 NPC66346 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 | NPC283085 |
1.0 | High Similarity | NPC473478 |
1.0 | High Similarity | NPC286338 |
1.0 | High Similarity | NPC82795 |
1.0 | High Similarity | NPC107986 |
1.0 | High Similarity | NPC473669 |
1.0 | High Similarity | NPC473651 |
1.0 | High Similarity | NPC231009 |
1.0 | High Similarity | NPC223871 |
1.0 | High Similarity | NPC110710 |
1.0 | High Similarity | NPC1083 |
1.0 | High Similarity | NPC132496 |
1.0 | High Similarity | NPC103284 |
0.9875 | High Similarity | NPC171174 |
0.9875 | High Similarity | NPC210218 |
0.9875 | High Similarity | NPC142117 |
0.9875 | High Similarity | NPC231096 |
0.9875 | High Similarity | NPC219498 |
0.9875 | High Similarity | NPC62118 |
0.9875 | High Similarity | NPC204686 |
0.9875 | High Similarity | NPC308412 |
0.9875 | High Similarity | NPC279267 |
0.9875 | High Similarity | NPC134865 |
0.9875 | High Similarity | NPC240695 |
0.9875 | High Similarity | NPC69082 |
0.9875 | High Similarity | NPC475581 |
0.9875 | High Similarity | NPC232555 |
0.9875 | High Similarity | NPC103523 |
0.9875 | High Similarity | NPC134807 |
0.9875 | High Similarity | NPC473687 |
0.9875 | High Similarity | NPC134885 |
0.9875 | High Similarity | NPC107717 |
0.9875 | High Similarity | NPC114694 |
0.9753 | High Similarity | NPC178215 |
0.9634 | High Similarity | NPC81045 |
0.9634 | High Similarity | NPC169511 |
0.9634 | High Similarity | NPC171135 |
0.9634 | High Similarity | NPC172821 |
0.9634 | High Similarity | NPC48338 |
0.9634 | High Similarity | NPC39754 |
0.9634 | High Similarity | NPC151403 |
0.9634 | High Similarity | NPC21208 |
0.9634 | High Similarity | NPC40376 |
0.9634 | High Similarity | NPC242364 |
0.9634 | High Similarity | NPC320569 |
0.9634 | High Similarity | NPC287164 |
0.9634 | High Similarity | NPC280621 |
0.9634 | High Similarity | NPC261952 |
0.9634 | High Similarity | NPC100454 |
0.9634 | High Similarity | NPC233551 |
0.9634 | High Similarity | NPC191929 |
0.9634 | High Similarity | NPC234077 |
0.9634 | High Similarity | NPC274446 |
0.9634 | High Similarity | NPC20339 |
0.9634 | High Similarity | NPC133730 |
0.9634 | High Similarity | NPC61257 |
0.963 | High Similarity | NPC112685 |
0.9625 | High Similarity | NPC163093 |
0.9625 | High Similarity | NPC156804 |
0.962 | High Similarity | NPC131002 |
0.962 | High Similarity | NPC329829 |
0.962 | High Similarity | NPC11332 |
0.962 | High Similarity | NPC65930 |
0.962 | High Similarity | NPC473712 |
0.962 | High Similarity | NPC73310 |
0.962 | High Similarity | NPC475159 |
0.962 | High Similarity | NPC145914 |
0.962 | High Similarity | NPC473780 |
0.962 | High Similarity | NPC180363 |
0.962 | High Similarity | NPC94875 |
0.962 | High Similarity | NPC473529 |
0.9518 | High Similarity | NPC20621 |
0.9518 | High Similarity | NPC473504 |
0.9518 | High Similarity | NPC81778 |
0.9518 | High Similarity | NPC93794 |
0.9518 | High Similarity | NPC477011 |
0.9518 | High Similarity | NPC91067 |
0.9518 | High Similarity | NPC130359 |
0.9518 | High Similarity | NPC139418 |
0.9518 | High Similarity | NPC40066 |
0.9518 | High Similarity | NPC14901 |
0.9518 | High Similarity | NPC42598 |
0.9518 | High Similarity | NPC318963 |
0.9506 | High Similarity | NPC471567 |
0.9506 | High Similarity | NPC120398 |
0.9506 | High Similarity | NPC329838 |
0.9506 | High Similarity | NPC182383 |
0.9506 | High Similarity | NPC329615 |
0.9506 | High Similarity | NPC477014 |
0.9506 | High Similarity | NPC477013 |
0.9506 | High Similarity | NPC322529 |
0.95 | High Similarity | NPC253801 |
0.95 | High Similarity | NPC144415 |
0.9405 | High Similarity | NPC239517 |
0.9405 | High Similarity | NPC473904 |
0.939 | High Similarity | NPC477015 |
0.939 | High Similarity | NPC132940 |
0.939 | High Similarity | NPC293136 |
0.939 | High Similarity | NPC241360 |
0.939 | High Similarity | NPC47937 |
0.9286 | High Similarity | NPC280612 |
0.9277 | High Similarity | NPC20533 |
0.9277 | High Similarity | NPC476583 |
0.9277 | High Similarity | NPC258068 |
0.9268 | High Similarity | NPC202055 |
0.9268 | High Similarity | NPC39279 |
0.9268 | High Similarity | NPC235809 |
0.9268 | High Similarity | NPC477018 |
0.9268 | High Similarity | NPC475268 |
0.9268 | High Similarity | NPC100921 |
0.9268 | High Similarity | NPC39167 |
0.9268 | High Similarity | NPC470400 |
0.9268 | High Similarity | NPC473156 |
0.9268 | High Similarity | NPC77871 |
0.9268 | High Similarity | NPC473671 |
0.9268 | High Similarity | NPC292809 |
0.9268 | High Similarity | NPC319036 |
0.9268 | High Similarity | NPC25764 |
0.9268 | High Similarity | NPC9678 |
0.9186 | High Similarity | NPC475173 |
0.9186 | High Similarity | NPC11456 |
0.9186 | High Similarity | NPC473723 |
0.9186 | High Similarity | NPC473663 |
0.9186 | High Similarity | NPC473561 |
0.9167 | High Similarity | NPC89001 |
0.9167 | High Similarity | NPC473905 |
0.9167 | High Similarity | NPC320458 |
0.9157 | High Similarity | NPC219652 |
0.9157 | High Similarity | NPC25703 |
0.9157 | High Similarity | NPC473840 |
0.9157 | High Similarity | NPC477010 |
0.9157 | High Similarity | NPC282815 |
0.9157 | High Similarity | NPC309211 |
0.907 | High Similarity | NPC473707 |
0.9059 | High Similarity | NPC477016 |
0.9059 | High Similarity | NPC477017 |
0.9048 | High Similarity | NPC154097 |
0.9048 | High Similarity | NPC473649 |
0.9048 | High Similarity | NPC159750 |
0.9048 | High Similarity | NPC470401 |
0.9048 | High Similarity | NPC477012 |
0.9048 | High Similarity | NPC473995 |
0.875 | High Similarity | NPC473520 |
0.8427 | Intermediate Similarity | NPC30515 |
0.8372 | Intermediate Similarity | NPC21469 |
0.8333 | Intermediate Similarity | NPC179746 |
0.8333 | Intermediate Similarity | NPC162205 |
0.8333 | Intermediate Similarity | NPC288240 |
0.8333 | Intermediate Similarity | NPC295204 |
0.8333 | Intermediate Similarity | NPC273579 |
0.8333 | Intermediate Similarity | NPC81419 |
0.8315 | Intermediate Similarity | NPC51004 |
0.8315 | Intermediate Similarity | NPC473619 |
0.8222 | Intermediate Similarity | NPC184463 |
0.8222 | Intermediate Similarity | NPC473321 |
0.8222 | Intermediate Similarity | NPC12172 |
0.8222 | Intermediate Similarity | NPC208886 |
0.8202 | Intermediate Similarity | NPC307411 |
0.8202 | Intermediate Similarity | NPC295312 |
0.8152 | Intermediate Similarity | NPC36954 |
0.814 | Intermediate Similarity | NPC286770 |
0.814 | Intermediate Similarity | NPC229799 |
0.814 | Intermediate Similarity | NPC284472 |
0.8132 | Intermediate Similarity | NPC475912 |
0.8132 | Intermediate Similarity | NPC476300 |
0.8125 | Intermediate Similarity | NPC84038 |
0.8111 | Intermediate Similarity | NPC476004 |
0.8111 | Intermediate Similarity | NPC473448 |
0.8111 | Intermediate Similarity | NPC474761 |
0.809 | Intermediate Similarity | NPC202672 |
0.8085 | Intermediate Similarity | NPC187268 |
0.8085 | Intermediate Similarity | NPC473326 |
0.8072 | Intermediate Similarity | NPC475711 |
0.8068 | Intermediate Similarity | NPC469483 |
0.8043 | Intermediate Similarity | NPC81386 |
0.8043 | Intermediate Similarity | NPC474035 |
0.8025 | Intermediate Similarity | NPC474705 |
0.8023 | Intermediate Similarity | NPC310450 |
0.8023 | Intermediate Similarity | NPC475046 |
0.8023 | Intermediate Similarity | NPC474959 |
0.8023 | Intermediate Similarity | NPC11383 |
0.8 | Intermediate Similarity | NPC474032 |
0.8 | Intermediate Similarity | NPC47653 |
0.7978 | Intermediate Similarity | NPC160138 |
0.7976 | Intermediate Similarity | NPC108816 |
0.7976 | Intermediate Similarity | NPC221095 |
0.7976 | Intermediate Similarity | NPC279214 |
0.7976 | Intermediate Similarity | NPC93763 |
0.7957 | Intermediate Similarity | NPC14961 |
0.7957 | Intermediate Similarity | NPC270013 |
0.7952 | Intermediate Similarity | NPC123360 |
0.7935 | Intermediate Similarity | NPC212486 |
0.7931 | Intermediate Similarity | NPC475947 |
0.7931 | Intermediate Similarity | NPC169575 |
0.7931 | Intermediate Similarity | NPC40746 |
0.7931 | Intermediate Similarity | NPC116543 |
0.7912 | Intermediate Similarity | NPC474232 |
0.7889 | Intermediate Similarity | NPC177629 |
0.7889 | Intermediate Similarity | NPC58219 |
0.7889 | Intermediate Similarity | NPC473715 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC66346 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 |
---|---|---|---|
0.7912 | Intermediate Similarity | NPD46 | Approved |
0.7912 | Intermediate Similarity | NPD6698 | Approved |
0.77 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7527 | Intermediate Similarity | NPD7838 | Discovery |
0.7263 | Intermediate Similarity | NPD7983 | Approved |
0.7172 | Intermediate Similarity | NPD8029 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD6371 | Approved |
0.7115 | Intermediate Similarity | NPD6686 | Approved |
0.7041 | Intermediate Similarity | NPD1698 | Clinical (unspecified phase) |
0.6989 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6979 | Remote Similarity | NPD5785 | Approved |
0.6916 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6842 | Remote Similarity | NPD4250 | Approved |
0.6842 | Remote Similarity | NPD4251 | Approved |
0.6832 | Remote Similarity | NPD4225 | Approved |
0.6829 | Remote Similarity | NPD3197 | Phase 1 |
0.6809 | Remote Similarity | NPD5363 | Approved |
0.6809 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6774 | Remote Similarity | NPD7154 | Phase 3 |
0.6774 | Remote Similarity | NPD5362 | Discontinued |
0.6737 | Remote Similarity | NPD4249 | Approved |
0.6701 | Remote Similarity | NPD1695 | Approved |
0.6667 | Remote Similarity | NPD4756 | Discovery |
0.663 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6588 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6538 | Remote Similarity | NPD5344 | Discontinued |
0.6489 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6489 | Remote Similarity | NPD4270 | Approved |
0.6489 | Remote Similarity | NPD4269 | Approved |
0.6452 | Remote Similarity | NPD4252 | Approved |
0.6413 | Remote Similarity | NPD4271 | Approved |
0.6413 | Remote Similarity | NPD4268 | Approved |
0.6396 | Remote Similarity | NPD6053 | Discontinued |
0.6392 | Remote Similarity | NPD5786 | Approved |
0.6383 | Remote Similarity | NPD5369 | Approved |
0.6379 | Remote Similarity | NPD8513 | Phase 3 |
0.6379 | Remote Similarity | NPD8517 | Approved |
0.6379 | Remote Similarity | NPD8515 | Approved |
0.6379 | Remote Similarity | NPD8516 | Approved |
0.6354 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6346 | Remote Similarity | NPD7638 | Approved |
0.6337 | Remote Similarity | NPD5779 | Approved |
0.6337 | Remote Similarity | NPD5778 | Approved |
0.6316 | Remote Similarity | NPD6435 | Approved |
0.6316 | Remote Similarity | NPD7115 | Discovery |
0.6311 | Remote Similarity | NPD7839 | Suspended |
0.6289 | Remote Similarity | NPD1694 | Approved |
0.6286 | Remote Similarity | NPD7639 | Approved |
0.6286 | Remote Similarity | NPD7640 | Approved |
0.6277 | Remote Similarity | NPD4819 | Approved |
0.6277 | Remote Similarity | NPD4821 | Approved |
0.6277 | Remote Similarity | NPD4822 | Approved |
0.6277 | Remote Similarity | NPD4820 | Approved |
0.6275 | Remote Similarity | NPD5282 | Discontinued |
0.6273 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6265 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6264 | Remote Similarity | NPD8039 | Approved |
0.625 | Remote Similarity | NPD6110 | Phase 1 |
0.625 | Remote Similarity | NPD5332 | Approved |
0.625 | Remote Similarity | NPD5331 | Approved |
0.6237 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6211 | Remote Similarity | NPD4790 | Discontinued |
0.6167 | Remote Similarity | NPD7507 | Approved |
0.6163 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6146 | Remote Similarity | NPD5209 | Approved |
0.6134 | Remote Similarity | NPD7829 | Approved |
0.6134 | Remote Similarity | NPD7830 | Approved |
0.6132 | Remote Similarity | NPD6648 | Approved |
0.6125 | Remote Similarity | NPD4266 | Approved |
0.6125 | Remote Similarity | NPD3728 | Approved |
0.6125 | Remote Similarity | NPD3730 | Approved |
0.6125 | Remote Similarity | NPD3194 | Approved |
0.6125 | Remote Similarity | NPD3195 | Phase 2 |
0.6125 | Remote Similarity | NPD3196 | Approved |
0.6118 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6116 | Remote Similarity | NPD8074 | Phase 3 |
0.6105 | Remote Similarity | NPD5368 | Approved |
0.6092 | Remote Similarity | NPD3704 | Approved |
0.6071 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.604 | Remote Similarity | NPD5370 | Suspended |
0.6024 | Remote Similarity | NPD69 | Approved |
0.6024 | Remote Similarity | NPD6109 | Phase 1 |
0.6024 | Remote Similarity | NPD9119 | Approved |
0.6019 | Remote Similarity | NPD6399 | Phase 3 |
0.6016 | Remote Similarity | NPD7319 | Approved |
0.6 | Remote Similarity | NPD3172 | Approved |
0.6 | Remote Similarity | NPD7642 | Approved |
0.5983 | Remote Similarity | NPD7641 | Discontinued |
0.5966 | Remote Similarity | NPD8033 | Approved |
0.5949 | Remote Similarity | NPD6927 | Phase 3 |
0.5946 | Remote Similarity | NPD6412 | Phase 2 |
0.5943 | Remote Similarity | NPD7902 | Approved |
0.5938 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.5929 | Remote Similarity | NPD2067 | Discontinued |
0.5922 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.5922 | Remote Similarity | NPD7637 | Suspended |
0.5909 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5904 | Remote Similarity | NPD9118 | Approved |
0.5882 | Remote Similarity | NPD6101 | Approved |
0.5882 | Remote Similarity | NPD8294 | Approved |
0.5882 | Remote Similarity | NPD8377 | Approved |
0.5882 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5877 | Remote Similarity | NPD2204 | Approved |
0.5877 | Remote Similarity | NPD7116 | Clinical (unspecified phase) |
0.5849 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5847 | Remote Similarity | NPD7328 | Approved |
0.5847 | Remote Similarity | NPD7327 | Approved |
0.5833 | Remote Similarity | NPD8380 | Approved |
0.5833 | Remote Similarity | NPD8378 | Approved |
0.5833 | Remote Similarity | NPD8379 | Approved |
0.5833 | Remote Similarity | NPD8296 | Approved |
0.5833 | Remote Similarity | NPD8444 | Approved |
0.5833 | Remote Similarity | NPD8335 | Approved |
0.5826 | Remote Similarity | NPD8297 | Approved |
0.581 | Remote Similarity | NPD7748 | Approved |
0.5804 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.5798 | Remote Similarity | NPD7516 | Approved |
0.5794 | Remote Similarity | NPD7260 | Phase 2 |
0.5789 | Remote Similarity | NPD6421 | Discontinued |
0.5776 | Remote Similarity | NPD4632 | Approved |
0.5772 | Remote Similarity | NPD8273 | Phase 1 |
0.5772 | Remote Similarity | NPD8451 | Approved |
0.5769 | Remote Similarity | NPD6411 | Approved |
0.5763 | Remote Similarity | NPD7505 | Discontinued |
0.5763 | Remote Similarity | NPD7500 | Approved |
0.575 | Remote Similarity | NPD29 | Approved |
0.575 | Remote Similarity | NPD28 | Approved |
0.5748 | Remote Similarity | NPD6845 | Suspended |
0.5743 | Remote Similarity | NPD6422 | Discontinued |
0.573 | Remote Similarity | NPD7331 | Phase 2 |
0.5727 | Remote Similarity | NPD7632 | Discontinued |
0.5726 | Remote Similarity | NPD8448 | Approved |
0.5714 | Remote Similarity | NPD6008 | Approved |
0.5691 | Remote Similarity | NPD7492 | Approved |
0.568 | Remote Similarity | NPD7736 | Approved |
0.5676 | Remote Similarity | NPD6647 | Phase 2 |
0.566 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD7900 | Approved |
0.5648 | Remote Similarity | NPD6083 | Phase 2 |
0.5648 | Remote Similarity | NPD6084 | Phase 2 |
0.5645 | Remote Similarity | NPD6616 | Approved |
0.5641 | Remote Similarity | NPD8133 | Approved |
0.5631 | Remote Similarity | NPD6903 | Approved |
0.562 | Remote Similarity | NPD6054 | Approved |
0.562 | Remote Similarity | NPD6319 | Approved |
0.5619 | Remote Similarity | NPD7515 | Phase 2 |
0.5614 | Remote Similarity | NPD7320 | Approved |
0.5614 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD6899 | Approved |
0.5614 | Remote Similarity | NPD6881 | Approved |
0.5612 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD8328 | Phase 3 |
0.5603 | Remote Similarity | NPD6649 | Approved |
0.5603 | Remote Similarity | NPD6650 | Approved |
0.5603 | Remote Similarity | NPD8130 | Phase 1 |
0.56 | Remote Similarity | NPD8293 | Discontinued |
0.56 | Remote Similarity | NPD7078 | Approved |
PubChem CID   | 44560012 |
ChEMBL   | CHEMBL454673 |
ZINC   |
Molecular Weight:   | 596.47 |
ALogP:   | -8.338 |
MLogP:   | 4.54 |
XLogP:   | 8.451 |
# Rotatable Bonds:   | 32 |
Polar Surface Area:   | 116.45 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 4 |
# Rings:   | 2 |
# Heavy Atoms:   | 42 |