Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4409 | Individual Protein | Programmed cell death protein 4 | Homo sapiens | Ratio | = | 4.5 | 24900873 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 5800 | nM | 24900873 |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 2900 | nM | 24900873 |
NPT2 | Others | Unspecified | IC50 | = | 3800 | nM | 24900873 |
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 NPC327041 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 | NPC285840 |
0.971 | High Similarity | NPC327383 |
0.971 | High Similarity | NPC185186 |
0.9324 | High Similarity | NPC133226 |
0.9324 | High Similarity | NPC470147 |
0.9189 | High Similarity | NPC470148 |
0.9189 | High Similarity | NPC470149 |
0.9189 | High Similarity | NPC180725 |
0.9178 | High Similarity | NPC474026 |
0.9155 | High Similarity | NPC329914 |
0.9054 | High Similarity | NPC248775 |
0.8933 | High Similarity | NPC139712 |
0.8889 | High Similarity | NPC329890 |
0.8873 | High Similarity | NPC476012 |
0.8784 | High Similarity | NPC188860 |
0.875 | High Similarity | NPC475762 |
0.8701 | High Similarity | NPC8538 |
0.8701 | High Similarity | NPC184208 |
0.8667 | High Similarity | NPC233071 |
0.8611 | High Similarity | NPC476037 |
0.8462 | Intermediate Similarity | NPC315731 |
0.8421 | Intermediate Similarity | NPC475711 |
0.8421 | Intermediate Similarity | NPC477203 |
0.8333 | Intermediate Similarity | NPC475760 |
0.8289 | Intermediate Similarity | NPC469880 |
0.8289 | Intermediate Similarity | NPC477202 |
0.8228 | Intermediate Similarity | NPC469469 |
0.8205 | Intermediate Similarity | NPC1180 |
0.8171 | Intermediate Similarity | NPC208473 |
0.8118 | Intermediate Similarity | NPC476084 |
0.8118 | Intermediate Similarity | NPC206679 |
0.8118 | Intermediate Similarity | NPC114172 |
0.8118 | Intermediate Similarity | NPC471324 |
0.8118 | Intermediate Similarity | NPC476075 |
0.8072 | Intermediate Similarity | NPC199382 |
0.8056 | Intermediate Similarity | NPC146811 |
0.8023 | Intermediate Similarity | NPC159092 |
0.8023 | Intermediate Similarity | NPC109406 |
0.8 | Intermediate Similarity | NPC177668 |
0.7975 | Intermediate Similarity | NPC473947 |
0.7971 | Intermediate Similarity | NPC22897 |
0.7971 | Intermediate Similarity | NPC159650 |
0.7952 | Intermediate Similarity | NPC47220 |
0.7952 | Intermediate Similarity | NPC186332 |
0.7927 | Intermediate Similarity | NPC473308 |
0.7917 | Intermediate Similarity | NPC96414 |
0.7901 | Intermediate Similarity | NPC251026 |
0.7895 | Intermediate Similarity | NPC477085 |
0.7882 | Intermediate Similarity | NPC133450 |
0.7808 | Intermediate Similarity | NPC201356 |
0.7805 | Intermediate Similarity | NPC473315 |
0.7805 | Intermediate Similarity | NPC142111 |
0.7792 | Intermediate Similarity | NPC477204 |
0.7791 | Intermediate Similarity | NPC3952 |
0.7778 | Intermediate Similarity | NPC148233 |
0.7778 | Intermediate Similarity | NPC25747 |
0.7765 | Intermediate Similarity | NPC20339 |
0.7765 | Intermediate Similarity | NPC280621 |
0.7765 | Intermediate Similarity | NPC233551 |
0.7765 | Intermediate Similarity | NPC48338 |
0.7765 | Intermediate Similarity | NPC21208 |
0.7765 | Intermediate Similarity | NPC40376 |
0.7763 | Intermediate Similarity | NPC477087 |
0.7763 | Intermediate Similarity | NPC477086 |
0.7763 | Intermediate Similarity | NPC293114 |
0.7746 | Intermediate Similarity | NPC26810 |
0.7738 | Intermediate Similarity | NPC47937 |
0.7727 | Intermediate Similarity | NPC256368 |
0.7711 | Intermediate Similarity | NPC474251 |
0.7711 | Intermediate Similarity | NPC186155 |
0.7711 | Intermediate Similarity | NPC160517 |
0.7711 | Intermediate Similarity | NPC78673 |
0.7692 | Intermediate Similarity | NPC260396 |
0.7667 | Intermediate Similarity | NPC475332 |
0.7662 | Intermediate Similarity | NPC284006 |
0.7647 | Intermediate Similarity | NPC178215 |
0.7647 | Intermediate Similarity | NPC313658 |
0.7647 | Intermediate Similarity | NPC316138 |
0.764 | Intermediate Similarity | NPC300710 |
0.7625 | Intermediate Similarity | NPC182292 |
0.7625 | Intermediate Similarity | NPC477314 |
0.7619 | Intermediate Similarity | NPC329615 |
0.7619 | Intermediate Similarity | NPC477013 |
0.7619 | Intermediate Similarity | NPC242233 |
0.7619 | Intermediate Similarity | NPC182383 |
0.7619 | Intermediate Similarity | NPC477014 |
0.7619 | Intermediate Similarity | NPC120398 |
0.7619 | Intermediate Similarity | NPC471494 |
0.7619 | Intermediate Similarity | NPC471567 |
0.7619 | Intermediate Similarity | NPC322529 |
0.7619 | Intermediate Similarity | NPC329838 |
0.7614 | Intermediate Similarity | NPC238090 |
0.7614 | Intermediate Similarity | NPC472195 |
0.7614 | Intermediate Similarity | NPC472196 |
0.7606 | Intermediate Similarity | NPC154908 |
0.7606 | Intermediate Similarity | NPC158368 |
0.7606 | Intermediate Similarity | NPC226872 |
0.7606 | Intermediate Similarity | NPC26223 |
0.7606 | Intermediate Similarity | NPC252851 |
0.759 | Intermediate Similarity | NPC253801 |
0.7586 | Intermediate Similarity | NPC473311 |
0.7586 | Intermediate Similarity | NPC239517 |
0.7568 | Intermediate Similarity | NPC124586 |
0.7558 | Intermediate Similarity | NPC470137 |
0.7558 | Intermediate Similarity | NPC89001 |
0.7558 | Intermediate Similarity | NPC473905 |
0.7558 | Intermediate Similarity | NPC320458 |
0.7556 | Intermediate Similarity | NPC288350 |
0.7556 | Intermediate Similarity | NPC173329 |
0.7556 | Intermediate Similarity | NPC255410 |
0.7534 | Intermediate Similarity | NPC308457 |
0.7532 | Intermediate Similarity | NPC316185 |
0.7531 | Intermediate Similarity | NPC226226 |
0.7531 | Intermediate Similarity | NPC55304 |
0.7529 | Intermediate Similarity | NPC114694 |
0.7529 | Intermediate Similarity | NPC219652 |
0.7529 | Intermediate Similarity | NPC142117 |
0.7529 | Intermediate Similarity | NPC475581 |
0.7529 | Intermediate Similarity | NPC279267 |
0.7529 | Intermediate Similarity | NPC25703 |
0.7529 | Intermediate Similarity | NPC61527 |
0.7529 | Intermediate Similarity | NPC240695 |
0.7529 | Intermediate Similarity | NPC62118 |
0.7529 | Intermediate Similarity | NPC69082 |
0.7529 | Intermediate Similarity | NPC477015 |
0.7529 | Intermediate Similarity | NPC309211 |
0.7529 | Intermediate Similarity | NPC103523 |
0.7529 | Intermediate Similarity | NPC282815 |
0.7529 | Intermediate Similarity | NPC107717 |
0.7529 | Intermediate Similarity | NPC232555 |
0.7529 | Intermediate Similarity | NPC134865 |
0.7529 | Intermediate Similarity | NPC231096 |
0.7529 | Intermediate Similarity | NPC473840 |
0.7529 | Intermediate Similarity | NPC171174 |
0.7528 | Intermediate Similarity | NPC159698 |
0.75 | Intermediate Similarity | NPC475004 |
0.75 | Intermediate Similarity | NPC156804 |
0.75 | Intermediate Similarity | NPC101622 |
0.75 | Intermediate Similarity | NPC84360 |
0.75 | Intermediate Similarity | NPC151481 |
0.75 | Intermediate Similarity | NPC163093 |
0.7473 | Intermediate Similarity | NPC120299 |
0.7471 | Intermediate Similarity | NPC477017 |
0.7471 | Intermediate Similarity | NPC42598 |
0.7471 | Intermediate Similarity | NPC81778 |
0.7471 | Intermediate Similarity | NPC477011 |
0.7471 | Intermediate Similarity | NPC318963 |
0.7471 | Intermediate Similarity | NPC473504 |
0.7471 | Intermediate Similarity | NPC20621 |
0.7471 | Intermediate Similarity | NPC91067 |
0.7471 | Intermediate Similarity | NPC40066 |
0.7471 | Intermediate Similarity | NPC93794 |
0.7471 | Intermediate Similarity | NPC477016 |
0.747 | Intermediate Similarity | NPC10080 |
0.747 | Intermediate Similarity | NPC475159 |
0.747 | Intermediate Similarity | NPC11332 |
0.747 | Intermediate Similarity | NPC131002 |
0.747 | Intermediate Similarity | NPC123908 |
0.747 | Intermediate Similarity | NPC473712 |
0.747 | Intermediate Similarity | NPC65930 |
0.747 | Intermediate Similarity | NPC145914 |
0.747 | Intermediate Similarity | NPC473780 |
0.747 | Intermediate Similarity | NPC473529 |
0.747 | Intermediate Similarity | NPC180363 |
0.747 | Intermediate Similarity | NPC94875 |
0.747 | Intermediate Similarity | NPC329829 |
0.747 | Intermediate Similarity | NPC73310 |
0.7442 | Intermediate Similarity | NPC473995 |
0.7442 | Intermediate Similarity | NPC476583 |
0.7442 | Intermediate Similarity | NPC20533 |
0.7442 | Intermediate Similarity | NPC258068 |
0.7432 | Intermediate Similarity | NPC282760 |
0.7432 | Intermediate Similarity | NPC19769 |
0.7412 | Intermediate Similarity | NPC82795 |
0.7412 | Intermediate Similarity | NPC107986 |
0.7412 | Intermediate Similarity | NPC473669 |
0.7412 | Intermediate Similarity | NPC473478 |
0.7412 | Intermediate Similarity | NPC283085 |
0.7412 | Intermediate Similarity | NPC470124 |
0.7412 | Intermediate Similarity | NPC1083 |
0.7412 | Intermediate Similarity | NPC473671 |
0.7412 | Intermediate Similarity | NPC223871 |
0.7412 | Intermediate Similarity | NPC286338 |
0.7412 | Intermediate Similarity | NPC66346 |
0.7412 | Intermediate Similarity | NPC319036 |
0.7412 | Intermediate Similarity | NPC475268 |
0.7412 | Intermediate Similarity | NPC473156 |
0.7412 | Intermediate Similarity | NPC39279 |
0.7412 | Intermediate Similarity | NPC25764 |
0.7412 | Intermediate Similarity | NPC231009 |
0.7412 | Intermediate Similarity | NPC77871 |
0.7412 | Intermediate Similarity | NPC477018 |
0.7412 | Intermediate Similarity | NPC39167 |
0.7412 | Intermediate Similarity | NPC202055 |
0.7412 | Intermediate Similarity | NPC470400 |
0.7412 | Intermediate Similarity | NPC235809 |
0.7412 | Intermediate Similarity | NPC132496 |
0.7412 | Intermediate Similarity | NPC9678 |
0.7412 | Intermediate Similarity | NPC473651 |
0.7412 | Intermediate Similarity | NPC100921 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC327041 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 |
---|---|---|---|
0.7791 | Intermediate Similarity | NPD7838 | Discovery |
0.7386 | Intermediate Similarity | NPD46 | Approved |
0.7386 | Intermediate Similarity | NPD6698 | Approved |
0.7204 | Intermediate Similarity | NPD8029 | Clinical (unspecified phase) |
0.6897 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD5344 | Discontinued |
0.6795 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6739 | Remote Similarity | NPD7983 | Approved |
0.6667 | Remote Similarity | NPD4250 | Approved |
0.6667 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD4251 | Approved |
0.6628 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6598 | Remote Similarity | NPD6648 | Approved |
0.6556 | Remote Similarity | NPD4249 | Approved |
0.6538 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6458 | Remote Similarity | NPD7839 | Suspended |
0.6452 | Remote Similarity | NPD5785 | Approved |
0.641 | Remote Similarity | NPD3197 | Phase 1 |
0.6404 | Remote Similarity | NPD7154 | Phase 3 |
0.6395 | Remote Similarity | NPD4271 | Approved |
0.6395 | Remote Similarity | NPD4268 | Approved |
0.6373 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6327 | Remote Similarity | NPD7638 | Approved |
0.6316 | Remote Similarity | NPD5778 | Approved |
0.6316 | Remote Similarity | NPD5779 | Approved |
0.6311 | Remote Similarity | NPD6686 | Approved |
0.6286 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6279 | Remote Similarity | NPD4756 | Discovery |
0.6264 | Remote Similarity | NPD5363 | Approved |
0.6263 | Remote Similarity | NPD7639 | Approved |
0.6263 | Remote Similarity | NPD7640 | Approved |
0.625 | Remote Similarity | NPD4822 | Approved |
0.625 | Remote Similarity | NPD4820 | Approved |
0.625 | Remote Similarity | NPD4821 | Approved |
0.625 | Remote Similarity | NPD4819 | Approved |
0.6211 | Remote Similarity | NPD7637 | Suspended |
0.6162 | Remote Similarity | NPD4225 | Approved |
0.6105 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6081 | Remote Similarity | NPD3195 | Phase 2 |
0.6081 | Remote Similarity | NPD3194 | Approved |
0.6081 | Remote Similarity | NPD3196 | Approved |
0.6081 | Remote Similarity | NPD4266 | Approved |
0.6075 | Remote Similarity | NPD6053 | Discontinued |
0.6047 | Remote Similarity | NPD8039 | Approved |
0.6044 | Remote Similarity | NPD5362 | Discontinued |
0.6038 | Remote Similarity | NPD6371 | Approved |
0.602 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5974 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5974 | Remote Similarity | NPD6109 | Phase 1 |
0.5965 | Remote Similarity | NPD7829 | Approved |
0.5965 | Remote Similarity | NPD7830 | Approved |
0.596 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD3172 | Approved |
0.5934 | Remote Similarity | NPD4270 | Approved |
0.5934 | Remote Similarity | NPD6435 | Approved |
0.5934 | Remote Similarity | NPD5209 | Approved |
0.5934 | Remote Similarity | NPD4269 | Approved |
0.5929 | Remote Similarity | NPD7503 | Approved |
0.5914 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.589 | Remote Similarity | NPD6927 | Phase 3 |
0.5889 | Remote Similarity | NPD4252 | Approved |
0.587 | Remote Similarity | NPD5331 | Approved |
0.587 | Remote Similarity | NPD5332 | Approved |
0.5851 | Remote Similarity | NPD5786 | Approved |
0.5843 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD6101 | Approved |
0.5824 | Remote Similarity | NPD5369 | Approved |
0.5824 | Remote Similarity | NPD4790 | Discontinued |
0.581 | Remote Similarity | NPD4211 | Phase 1 |
0.5802 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD8513 | Phase 3 |
0.5789 | Remote Similarity | NPD8033 | Approved |
0.5769 | Remote Similarity | NPD9119 | Approved |
0.5769 | Remote Similarity | NPD69 | Approved |
0.5761 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD7115 | Discovery |
0.5714 | Remote Similarity | NPD6411 | Approved |
0.5714 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5368 | Approved |
0.5702 | Remote Similarity | NPD8294 | Approved |
0.5702 | Remote Similarity | NPD8377 | Approved |
0.5699 | Remote Similarity | NPD6695 | Phase 3 |
0.5699 | Remote Similarity | NPD6110 | Phase 1 |
0.5694 | Remote Similarity | NPD5343 | Approved |
0.569 | Remote Similarity | NPD7642 | Approved |
0.5679 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD29 | Approved |
0.5676 | Remote Similarity | NPD28 | Approved |
0.5673 | Remote Similarity | NPD7632 | Discontinued |
0.567 | Remote Similarity | NPD1695 | Approved |
0.567 | Remote Similarity | NPD5370 | Suspended |
0.5664 | Remote Similarity | NPD7328 | Approved |
0.5664 | Remote Similarity | NPD7327 | Approved |
0.5663 | Remote Similarity | NPD3704 | Approved |
0.5663 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD8444 | Approved |
0.5652 | Remote Similarity | NPD8517 | Approved |
0.5652 | Remote Similarity | NPD8378 | Approved |
0.5652 | Remote Similarity | NPD8516 | Approved |
0.5652 | Remote Similarity | NPD8380 | Approved |
0.5652 | Remote Similarity | NPD8296 | Approved |
0.5652 | Remote Similarity | NPD8379 | Approved |
0.5652 | Remote Similarity | NPD8335 | Approved |
0.5652 | Remote Similarity | NPD8515 | Approved |
0.5641 | Remote Similarity | NPD9118 | Approved |
0.5638 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5634 | Remote Similarity | NPD39 | Approved |
0.5632 | Remote Similarity | NPD4732 | Discontinued |
0.5625 | Remote Similarity | NPD7750 | Discontinued |
0.5619 | Remote Similarity | NPD6647 | Phase 2 |
0.5616 | Remote Similarity | NPD3173 | Approved |
0.5614 | Remote Similarity | NPD7516 | Approved |
0.56 | Remote Similarity | NPD5282 | Discontinued |
PubChem CID   | 71764877 |
ChEMBL   | CHEMBL3287578 |
ZINC   |
Molecular Weight:   | 570.41 |
ALogP:   | -7.1199 |
MLogP:   | 4.1 |
XLogP:   | 7.851 |
# Rotatable Bonds:   | 32 |
Polar Surface Area:   | 133.52 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 4 |
# Rings:   | 1 |
# Heavy Atoms:   | 40 |