Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT375 | Cell Line | Malme-3M | Homo sapiens | ED50 | = | 3.36 | ug/ml | 22934671 |
NPT395 | Cell Line | SF-268 | Homo sapiens | ED50 | = | 12.1 | ug/ml | 20627740 |
NPT396 | Cell Line | T47D | Homo sapiens | ED50 | = | 5.4 | ug/ml | 11678655 |
NPT457 | Cell Line | BT-549 | Homo sapiens | ED50 | = | 3.86 | ug/ml | 11678655 |
NPT306 | Cell Line | PC-3 | Homo sapiens | ED50 | = | 4.98 | ug/ml | 18426954 |
NPT90 | Cell Line | DU-145 | Homo sapiens | ED50 | = | 9.66 | ug/ml | 18426954 |
NPT369 | Cell Line | ACHN | Homo sapiens | ED50 | = | 5.07 | ug/ml | 18426954 |
NPT371 | Cell Line | UO-31 | Homo sapiens | ED50 | = | 4.79 | ug/ml | Cerep in vitro phospholipidosis assay data |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | ED50 | = | 4.17 | ug/ml | Cerep in vitro phospholipidosis assay data |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | ED50 | = | 5.32 | ug/ml | 17428028 |
NPT392 | Cell Line | SNB-75 | Homo sapiens | ED50 | = | 22.51 | ug/ml | 18936188 |
NPT323 | Cell Line | SW-620 | Homo sapiens | ED50 | = | 3.81 | ug/ml | 18936188 |
NPT393 | Cell Line | HCT-116 | Homo sapiens | ED50 | = | 4.65 | ug/ml | 17027268 |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | ED50 | = | 0.78 | ug/ml | 17027268 |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | ED50 | = | 2.43 | ug/ml | 12880316 |
NPT379 | Cell Line | HOP-62 | Homo sapiens | ED50 | = | 5.74 | ug/ml | 19133779 |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | ED50 | = | 2.83 | ug/ml | 19133779 |
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 NPC70251 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 | NPC475881 |
0.9341 | High Similarity | NPC474213 |
0.9176 | High Similarity | NPC470238 |
0.9176 | High Similarity | NPC138647 |
0.908 | High Similarity | NPC5130 |
0.9 | High Similarity | NPC212486 |
0.8901 | High Similarity | NPC190294 |
0.8864 | High Similarity | NPC186148 |
0.8851 | High Similarity | NPC304509 |
0.8851 | High Similarity | NPC47958 |
0.8851 | High Similarity | NPC149725 |
0.8804 | High Similarity | NPC270013 |
0.8804 | High Similarity | NPC14961 |
0.8764 | High Similarity | NPC58219 |
0.8764 | High Similarity | NPC177629 |
0.875 | High Similarity | NPC470242 |
0.8723 | High Similarity | NPC473326 |
0.871 | High Similarity | NPC39859 |
0.871 | High Similarity | NPC76862 |
0.871 | High Similarity | NPC158416 |
0.871 | High Similarity | NPC470883 |
0.8696 | High Similarity | NPC81386 |
0.8696 | High Similarity | NPC474035 |
0.8696 | High Similarity | NPC57405 |
0.8696 | High Similarity | NPC303942 |
0.8681 | High Similarity | NPC184463 |
0.8667 | High Similarity | NPC92974 |
0.8617 | High Similarity | NPC328562 |
0.8617 | High Similarity | NPC323421 |
0.8587 | High Similarity | NPC475912 |
0.8556 | High Similarity | NPC202672 |
0.8542 | High Similarity | NPC201718 |
0.8539 | High Similarity | NPC474949 |
0.8539 | High Similarity | NPC475019 |
0.8523 | High Similarity | NPC474780 |
0.8511 | High Similarity | NPC476315 |
0.8511 | High Similarity | NPC31645 |
0.8511 | High Similarity | NPC473859 |
0.8485 | Intermediate Similarity | NPC477513 |
0.8478 | Intermediate Similarity | NPC30515 |
0.8478 | Intermediate Similarity | NPC12172 |
0.8478 | Intermediate Similarity | NPC208886 |
0.8462 | Intermediate Similarity | NPC151770 |
0.8462 | Intermediate Similarity | NPC307411 |
0.8454 | Intermediate Similarity | NPC471148 |
0.8444 | Intermediate Similarity | NPC190753 |
0.8438 | Intermediate Similarity | NPC471381 |
0.8438 | Intermediate Similarity | NPC288876 |
0.8427 | Intermediate Similarity | NPC329749 |
0.8404 | Intermediate Similarity | NPC36954 |
0.8404 | Intermediate Similarity | NPC475659 |
0.8387 | Intermediate Similarity | NPC81419 |
0.8387 | Intermediate Similarity | NPC179746 |
0.8387 | Intermediate Similarity | NPC476300 |
0.837 | Intermediate Similarity | NPC51004 |
0.837 | Intermediate Similarity | NPC474323 |
0.837 | Intermediate Similarity | NPC206614 |
0.8351 | Intermediate Similarity | NPC476270 |
0.8333 | Intermediate Similarity | NPC476015 |
0.8333 | Intermediate Similarity | NPC45125 |
0.8333 | Intermediate Similarity | NPC474762 |
0.8316 | Intermediate Similarity | NPC476009 |
0.8316 | Intermediate Similarity | NPC279621 |
0.8315 | Intermediate Similarity | NPC475963 |
0.8315 | Intermediate Similarity | NPC3464 |
0.8315 | Intermediate Similarity | NPC151176 |
0.8298 | Intermediate Similarity | NPC471147 |
0.8265 | Intermediate Similarity | NPC320019 |
0.8265 | Intermediate Similarity | NPC324017 |
0.8261 | Intermediate Similarity | NPC173926 |
0.8256 | Intermediate Similarity | NPC470014 |
0.8247 | Intermediate Similarity | NPC186861 |
0.8242 | Intermediate Similarity | NPC231889 |
0.8229 | Intermediate Similarity | NPC471150 |
0.8222 | Intermediate Similarity | NPC319795 |
0.8222 | Intermediate Similarity | NPC50362 |
0.8222 | Intermediate Similarity | NPC38468 |
0.8211 | Intermediate Similarity | NPC475900 |
0.8202 | Intermediate Similarity | NPC474472 |
0.8202 | Intermediate Similarity | NPC257358 |
0.8191 | Intermediate Similarity | NPC475838 |
0.8191 | Intermediate Similarity | NPC125674 |
0.8191 | Intermediate Similarity | NPC228451 |
0.8172 | Intermediate Similarity | NPC474761 |
0.8172 | Intermediate Similarity | NPC475748 |
0.8172 | Intermediate Similarity | NPC473619 |
0.8172 | Intermediate Similarity | NPC476004 |
0.8163 | Intermediate Similarity | NPC473332 |
0.8163 | Intermediate Similarity | NPC15993 |
0.8152 | Intermediate Similarity | NPC473715 |
0.8152 | Intermediate Similarity | NPC281516 |
0.8144 | Intermediate Similarity | NPC208233 |
0.8137 | Intermediate Similarity | NPC139838 |
0.8137 | Intermediate Similarity | NPC59489 |
0.8125 | Intermediate Similarity | NPC35498 |
0.8105 | Intermediate Similarity | NPC473316 |
0.8105 | Intermediate Similarity | NPC473330 |
0.8105 | Intermediate Similarity | NPC474247 |
0.8085 | Intermediate Similarity | NPC473321 |
0.8065 | Intermediate Similarity | NPC474951 |
0.8065 | Intermediate Similarity | NPC474032 |
0.8065 | Intermediate Similarity | NPC166919 |
0.8061 | Intermediate Similarity | NPC475949 |
0.8043 | Intermediate Similarity | NPC118601 |
0.8021 | Intermediate Similarity | NPC476053 |
0.8021 | Intermediate Similarity | NPC471141 |
0.802 | Intermediate Similarity | NPC243998 |
0.802 | Intermediate Similarity | NPC44004 |
0.802 | Intermediate Similarity | NPC54737 |
0.8 | Intermediate Similarity | NPC295204 |
0.8 | Intermediate Similarity | NPC273579 |
0.8 | Intermediate Similarity | NPC288240 |
0.8 | Intermediate Similarity | NPC272814 |
0.8 | Intermediate Similarity | NPC162205 |
0.8 | Intermediate Similarity | NPC128429 |
0.798 | Intermediate Similarity | NPC477511 |
0.798 | Intermediate Similarity | NPC474339 |
0.798 | Intermediate Similarity | NPC164598 |
0.798 | Intermediate Similarity | NPC47880 |
0.798 | Intermediate Similarity | NPC264477 |
0.7979 | Intermediate Similarity | NPC49342 |
0.7979 | Intermediate Similarity | NPC65359 |
0.7979 | Intermediate Similarity | NPC251385 |
0.7959 | Intermediate Similarity | NPC471144 |
0.7957 | Intermediate Similarity | NPC178875 |
0.7938 | Intermediate Similarity | NPC230800 |
0.7935 | Intermediate Similarity | NPC162071 |
0.7935 | Intermediate Similarity | NPC50637 |
0.7921 | Intermediate Similarity | NPC474741 |
0.7917 | Intermediate Similarity | NPC71589 |
0.79 | Intermediate Similarity | NPC474747 |
0.79 | Intermediate Similarity | NPC149371 |
0.7895 | Intermediate Similarity | NPC155215 |
0.7895 | Intermediate Similarity | NPC469627 |
0.7895 | Intermediate Similarity | NPC329952 |
0.7872 | Intermediate Similarity | NPC215556 |
0.7865 | Intermediate Similarity | NPC474981 |
0.7857 | Intermediate Similarity | NPC471140 |
0.7857 | Intermediate Similarity | NPC474313 |
0.7849 | Intermediate Similarity | NPC248602 |
0.7843 | Intermediate Similarity | NPC223450 |
0.7835 | Intermediate Similarity | NPC472873 |
0.7835 | Intermediate Similarity | NPC107476 |
0.7835 | Intermediate Similarity | NPC471142 |
0.7826 | Intermediate Similarity | NPC21469 |
0.7822 | Intermediate Similarity | NPC475871 |
0.7822 | Intermediate Similarity | NPC475945 |
0.7812 | Intermediate Similarity | NPC258216 |
0.7802 | Intermediate Similarity | NPC11620 |
0.78 | Intermediate Similarity | NPC475958 |
0.7789 | Intermediate Similarity | NPC475855 |
0.7789 | Intermediate Similarity | NPC312042 |
0.7789 | Intermediate Similarity | NPC216284 |
0.7778 | Intermediate Similarity | NPC187268 |
0.7778 | Intermediate Similarity | NPC279561 |
0.7766 | Intermediate Similarity | NPC217983 |
0.7766 | Intermediate Similarity | NPC153805 |
0.7766 | Intermediate Similarity | NPC207114 |
0.7766 | Intermediate Similarity | NPC79549 |
0.7755 | Intermediate Similarity | NPC477921 |
0.7745 | Intermediate Similarity | NPC100487 |
0.7745 | Intermediate Similarity | NPC471143 |
0.7745 | Intermediate Similarity | NPC477510 |
0.7742 | Intermediate Similarity | NPC236692 |
0.7742 | Intermediate Similarity | NPC309757 |
0.7742 | Intermediate Similarity | NPC187661 |
0.7736 | Intermediate Similarity | NPC475851 |
0.7736 | Intermediate Similarity | NPC475924 |
0.7732 | Intermediate Similarity | NPC140543 |
0.7717 | Intermediate Similarity | NPC191476 |
0.7717 | Intermediate Similarity | NPC114979 |
0.7717 | Intermediate Similarity | NPC72464 |
0.7708 | Intermediate Similarity | NPC470379 |
0.7708 | Intermediate Similarity | NPC184063 |
0.7708 | Intermediate Similarity | NPC131209 |
0.7708 | Intermediate Similarity | NPC158061 |
0.7708 | Intermediate Similarity | NPC470373 |
0.77 | Intermediate Similarity | NPC70865 |
0.77 | Intermediate Similarity | NPC477512 |
0.7684 | Intermediate Similarity | NPC155935 |
0.7684 | Intermediate Similarity | NPC295312 |
0.7684 | Intermediate Similarity | NPC473564 |
0.7677 | Intermediate Similarity | NPC181151 |
0.7677 | Intermediate Similarity | NPC311904 |
0.767 | Intermediate Similarity | NPC474101 |
0.766 | Intermediate Similarity | NPC475703 |
0.766 | Intermediate Similarity | NPC270270 |
0.7653 | Intermediate Similarity | NPC163228 |
0.7653 | Intermediate Similarity | NPC477922 |
0.7634 | Intermediate Similarity | NPC474547 |
0.7634 | Intermediate Similarity | NPC255307 |
0.7634 | Intermediate Similarity | NPC137033 |
0.7629 | Intermediate Similarity | NPC135776 |
0.7629 | Intermediate Similarity | NPC153590 |
0.7624 | Intermediate Similarity | NPC474742 |
0.7604 | Intermediate Similarity | NPC246173 |
0.7604 | Intermediate Similarity | NPC179394 |
0.7604 | Intermediate Similarity | NPC62815 |
0.7604 | Intermediate Similarity | NPC35809 |
0.7604 | Intermediate Similarity | NPC54065 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC70251 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 |
---|---|---|---|
0.8222 | Intermediate Similarity | NPD1733 | Clinical (unspecified phase) |
0.7604 | Intermediate Similarity | NPD6698 | Approved |
0.7604 | Intermediate Similarity | NPD46 | Approved |
0.732 | Intermediate Similarity | NPD1695 | Approved |
0.7245 | Intermediate Similarity | NPD7838 | Discovery |
0.7129 | Intermediate Similarity | NPD1698 | Clinical (unspecified phase) |
0.7103 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7064 | Intermediate Similarity | NPD6371 | Approved |
0.7 | Intermediate Similarity | NPD7983 | Approved |
0.6952 | Remote Similarity | NPD5344 | Discontinued |
0.6818 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6696 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6607 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.6577 | Remote Similarity | NPD6686 | Approved |
0.6542 | Remote Similarity | NPD6648 | Approved |
0.6449 | Remote Similarity | NPD4225 | Approved |
0.6449 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.6348 | Remote Similarity | NPD6053 | Discontinued |
0.6339 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.6333 | Remote Similarity | NPD8517 | Approved |
0.6333 | Remote Similarity | NPD8515 | Approved |
0.6333 | Remote Similarity | NPD8516 | Approved |
0.6333 | Remote Similarity | NPD8513 | Phase 3 |
0.6286 | Remote Similarity | NPD5778 | Approved |
0.6286 | Remote Similarity | NPD5779 | Approved |
0.6271 | Remote Similarity | NPD7115 | Discovery |
0.6263 | Remote Similarity | NPD6435 | Approved |
0.623 | Remote Similarity | NPD7642 | Approved |
0.6226 | Remote Similarity | NPD5282 | Discontinued |
0.62 | Remote Similarity | NPD7154 | Phase 3 |
0.6176 | Remote Similarity | NPD4249 | Approved |
0.6154 | Remote Similarity | NPD8133 | Approved |
0.6117 | Remote Similarity | NPD4251 | Approved |
0.6117 | Remote Similarity | NPD4250 | Approved |
0.6106 | Remote Similarity | NPD6008 | Approved |
0.6098 | Remote Similarity | NPD7829 | Approved |
0.6098 | Remote Similarity | NPD7830 | Approved |
0.6095 | Remote Similarity | NPD5785 | Approved |
0.608 | Remote Similarity | NPD8074 | Phase 3 |
0.6061 | Remote Similarity | NPD5368 | Approved |
0.6019 | Remote Similarity | NPD5786 | Approved |
0.6017 | Remote Similarity | NPD4632 | Approved |
0.6 | Remote Similarity | NPD7507 | Approved |
0.6 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5369 | Approved |
0.6 | Remote Similarity | NPD6101 | Approved |
0.5984 | Remote Similarity | NPD6319 | Approved |
0.5963 | Remote Similarity | NPD7839 | Suspended |
0.595 | Remote Similarity | NPD7641 | Discontinued |
0.5935 | Remote Similarity | NPD8268 | Approved |
0.5935 | Remote Similarity | NPD8266 | Approved |
0.5935 | Remote Similarity | NPD8269 | Approved |
0.5935 | Remote Similarity | NPD8267 | Approved |
0.5922 | Remote Similarity | NPD5363 | Approved |
0.5922 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5922 | Remote Similarity | NPD1694 | Approved |
0.5909 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD4820 | Approved |
0.59 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD4819 | Approved |
0.59 | Remote Similarity | NPD4821 | Approved |
0.59 | Remote Similarity | NPD4822 | Approved |
0.5888 | Remote Similarity | NPD6411 | Approved |
0.5882 | Remote Similarity | NPD5362 | Discontinued |
0.5873 | Remote Similarity | NPD8273 | Phase 1 |
0.5873 | Remote Similarity | NPD8451 | Approved |
0.5859 | Remote Similarity | NPD7319 | Approved |
0.5856 | Remote Similarity | NPD7638 | Approved |
0.5827 | Remote Similarity | NPD8448 | Approved |
0.5824 | Remote Similarity | NPD7909 | Approved |
0.5806 | Remote Similarity | NPD6921 | Approved |
0.5804 | Remote Similarity | NPD7640 | Approved |
0.5804 | Remote Similarity | NPD7639 | Approved |
0.5798 | Remote Similarity | NPD8297 | Approved |
0.5794 | Remote Similarity | NPD7492 | Approved |
0.5784 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5784 | Remote Similarity | NPD4269 | Approved |
0.5784 | Remote Similarity | NPD4270 | Approved |
0.5776 | Remote Similarity | NPD6412 | Phase 2 |
0.5776 | Remote Similarity | NPD5697 | Approved |
0.5761 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5752 | Remote Similarity | NPD1700 | Approved |
0.5748 | Remote Similarity | NPD6616 | Approved |
0.5738 | Remote Similarity | NPD6009 | Approved |
0.5738 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5726 | Remote Similarity | NPD6899 | Approved |
0.5726 | Remote Similarity | NPD6054 | Approved |
0.5726 | Remote Similarity | NPD6881 | Approved |
0.5714 | Remote Similarity | NPD6649 | Approved |
0.5714 | Remote Similarity | NPD7604 | Phase 2 |
0.5714 | Remote Similarity | NPD6650 | Approved |
0.5703 | Remote Similarity | NPD7078 | Approved |
0.57 | Remote Similarity | NPD4271 | Approved |
0.57 | Remote Similarity | NPD4268 | Approved |
0.5692 | Remote Similarity | NPD8392 | Approved |
0.5692 | Remote Similarity | NPD8391 | Approved |
0.5692 | Remote Similarity | NPD8390 | Approved |
0.569 | Remote Similarity | NPD7128 | Approved |
0.569 | Remote Similarity | NPD6402 | Approved |
0.569 | Remote Similarity | NPD5739 | Approved |
0.569 | Remote Similarity | NPD6675 | Approved |
0.5688 | Remote Similarity | NPD6399 | Phase 3 |
0.568 | Remote Similarity | NPD5983 | Phase 2 |
0.568 | Remote Similarity | NPD8444 | Approved |
0.568 | Remote Similarity | NPD6015 | Approved |
0.568 | Remote Similarity | NPD6016 | Approved |
0.5678 | Remote Similarity | NPD6012 | Approved |
0.5678 | Remote Similarity | NPD6373 | Approved |
0.5678 | Remote Similarity | NPD6372 | Approved |
0.5678 | Remote Similarity | NPD6013 | Approved |
0.5678 | Remote Similarity | NPD6014 | Approved |
0.5669 | Remote Similarity | NPD8340 | Approved |
0.5669 | Remote Similarity | NPD8342 | Approved |
0.5669 | Remote Similarity | NPD8299 | Approved |
0.5669 | Remote Similarity | NPD8341 | Approved |
0.5659 | Remote Similarity | NPD7736 | Approved |
0.5649 | Remote Similarity | NPD7260 | Phase 2 |
0.5648 | Remote Similarity | NPD3168 | Discontinued |
0.5641 | Remote Similarity | NPD5701 | Approved |
0.5635 | Remote Similarity | NPD6370 | Approved |
0.5635 | Remote Similarity | NPD5988 | Approved |
0.5635 | Remote Similarity | NPD8080 | Discontinued |
0.563 | Remote Similarity | NPD6883 | Approved |
0.563 | Remote Similarity | NPD7102 | Approved |
0.563 | Remote Similarity | NPD7290 | Approved |
0.561 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD6845 | Suspended |
0.5603 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5603 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6059 | Approved |
PubChem CID   | 15767604 |
ChEMBL   | CHEMBL463163 |
ZINC   |
Molecular Weight:   | 280.13 |
ALogP:   | -0.323 |
MLogP:   | 2.56 |
XLogP:   | 0.615 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 71.59 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 20 |