Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 0.62 | ug/ml | 26280920 |
NPT2 | Others | Unspecified | IC50 | = | 19000 | nM | 21856049 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 0.59 | ug/ml | 26225905 |
NPT2 | Others | Unspecified | IC50 | = | 0.77 | ug/ml | 18077363 | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 0.75 | ug/ml | 18543965 |
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 NPC128475 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 |
---|---|---|
0.9878 | High Similarity | NPC161928 |
0.9878 | High Similarity | NPC210658 |
0.9535 | High Similarity | NPC182740 |
0.9535 | High Similarity | NPC211845 |
0.9535 | High Similarity | NPC256104 |
0.9535 | High Similarity | NPC122083 |
0.9268 | High Similarity | NPC470611 |
0.9186 | High Similarity | NPC20822 |
0.9167 | High Similarity | NPC273290 |
0.9167 | High Similarity | NPC232044 |
0.9048 | High Similarity | NPC227260 |
0.8989 | High Similarity | NPC3538 |
0.8989 | High Similarity | NPC113500 |
0.8989 | High Similarity | NPC477224 |
0.8977 | High Similarity | NPC5632 |
0.8977 | High Similarity | NPC149966 |
0.8966 | High Similarity | NPC228059 |
0.8929 | High Similarity | NPC470070 |
0.8889 | High Similarity | NPC21897 |
0.8876 | High Similarity | NPC167644 |
0.8876 | High Similarity | NPC311246 |
0.8864 | High Similarity | NPC473542 |
0.8837 | High Similarity | NPC471240 |
0.8817 | High Similarity | NPC477225 |
0.881 | High Similarity | NPC475388 |
0.881 | High Similarity | NPC296734 |
0.8804 | High Similarity | NPC292775 |
0.8778 | High Similarity | NPC175 |
0.8778 | High Similarity | NPC30687 |
0.8778 | High Similarity | NPC45959 |
0.8778 | High Similarity | NPC252253 |
0.8764 | High Similarity | NPC59006 |
0.8764 | High Similarity | NPC293609 |
0.875 | High Similarity | NPC82955 |
0.875 | High Similarity | NPC473472 |
0.8721 | High Similarity | NPC290612 |
0.8696 | High Similarity | NPC477223 |
0.8696 | High Similarity | NPC477222 |
0.8681 | High Similarity | NPC473065 |
0.8681 | High Similarity | NPC473067 |
0.8681 | High Similarity | NPC473064 |
0.8675 | High Similarity | NPC81074 |
0.8675 | High Similarity | NPC477282 |
0.8667 | High Similarity | NPC88962 |
0.8667 | High Similarity | NPC144790 |
0.8667 | High Similarity | NPC277774 |
0.8667 | High Similarity | NPC149400 |
0.8659 | High Similarity | NPC11907 |
0.8659 | High Similarity | NPC474574 |
0.8659 | High Similarity | NPC64081 |
0.8659 | High Similarity | NPC133596 |
0.8652 | High Similarity | NPC279329 |
0.8652 | High Similarity | NPC223143 |
0.8636 | High Similarity | NPC281004 |
0.8602 | High Similarity | NPC473638 |
0.8587 | High Similarity | NPC139271 |
0.8587 | High Similarity | NPC121453 |
0.8587 | High Similarity | NPC142264 |
0.8587 | High Similarity | NPC304011 |
0.8587 | High Similarity | NPC156377 |
0.8587 | High Similarity | NPC476510 |
0.8571 | High Similarity | NPC179859 |
0.8571 | High Similarity | NPC7479 |
0.8571 | High Similarity | NPC473851 |
0.8571 | High Similarity | NPC174024 |
0.8571 | High Similarity | NPC257296 |
0.8571 | High Similarity | NPC475436 |
0.8571 | High Similarity | NPC473774 |
0.8571 | High Similarity | NPC291547 |
0.8571 | High Similarity | NPC222731 |
0.8571 | High Similarity | NPC253268 |
0.8571 | High Similarity | NPC131693 |
0.8571 | High Similarity | NPC312678 |
0.8571 | High Similarity | NPC24960 |
0.8571 | High Similarity | NPC294686 |
0.8571 | High Similarity | NPC248944 |
0.8556 | High Similarity | NPC36372 |
0.8556 | High Similarity | NPC229801 |
0.8556 | High Similarity | NPC307167 |
0.8556 | High Similarity | NPC210759 |
0.8542 | High Similarity | NPC100078 |
0.8539 | High Similarity | NPC102725 |
0.8537 | High Similarity | NPC163597 |
0.8523 | High Similarity | NPC140446 |
0.8523 | High Similarity | NPC472396 |
0.8523 | High Similarity | NPC43912 |
0.8506 | High Similarity | NPC266651 |
0.8495 | Intermediate Similarity | NPC233649 |
0.8495 | Intermediate Similarity | NPC470028 |
0.8478 | Intermediate Similarity | NPC474399 |
0.8478 | Intermediate Similarity | NPC92196 |
0.8462 | Intermediate Similarity | NPC250393 |
0.8462 | Intermediate Similarity | NPC234352 |
0.8462 | Intermediate Similarity | NPC476669 |
0.8462 | Intermediate Similarity | NPC477547 |
0.8462 | Intermediate Similarity | NPC249204 |
0.8462 | Intermediate Similarity | NPC477451 |
0.8462 | Intermediate Similarity | NPC48339 |
0.8462 | Intermediate Similarity | NPC177834 |
0.8462 | Intermediate Similarity | NPC325828 |
0.8462 | Intermediate Similarity | NPC297348 |
0.8462 | Intermediate Similarity | NPC141769 |
0.8454 | Intermediate Similarity | NPC166079 |
0.8444 | Intermediate Similarity | NPC65550 |
0.8434 | Intermediate Similarity | NPC128951 |
0.8434 | Intermediate Similarity | NPC477227 |
0.8434 | Intermediate Similarity | NPC105208 |
0.8434 | Intermediate Similarity | NPC302578 |
0.8434 | Intermediate Similarity | NPC192046 |
0.8415 | Intermediate Similarity | NPC91387 |
0.8415 | Intermediate Similarity | NPC270306 |
0.8415 | Intermediate Similarity | NPC231680 |
0.8415 | Intermediate Similarity | NPC317242 |
0.8409 | Intermediate Similarity | NPC155531 |
0.8409 | Intermediate Similarity | NPC215968 |
0.8404 | Intermediate Similarity | NPC473518 |
0.8391 | Intermediate Similarity | NPC474156 |
0.8391 | Intermediate Similarity | NPC320824 |
0.8387 | Intermediate Similarity | NPC473601 |
0.8387 | Intermediate Similarity | NPC473287 |
0.8387 | Intermediate Similarity | NPC195297 |
0.837 | Intermediate Similarity | NPC291203 |
0.837 | Intermediate Similarity | NPC264101 |
0.837 | Intermediate Similarity | NPC309866 |
0.837 | Intermediate Similarity | NPC217205 |
0.837 | Intermediate Similarity | NPC471464 |
0.837 | Intermediate Similarity | NPC305418 |
0.837 | Intermediate Similarity | NPC473503 |
0.837 | Intermediate Similarity | NPC475325 |
0.8353 | Intermediate Similarity | NPC16449 |
0.8352 | Intermediate Similarity | NPC473637 |
0.8352 | Intermediate Similarity | NPC473830 |
0.8352 | Intermediate Similarity | NPC476668 |
0.8352 | Intermediate Similarity | NPC204881 |
0.8352 | Intermediate Similarity | NPC473066 |
0.8333 | Intermediate Similarity | NPC131466 |
0.8333 | Intermediate Similarity | NPC213528 |
0.8333 | Intermediate Similarity | NPC244969 |
0.8333 | Intermediate Similarity | NPC67657 |
0.8333 | Intermediate Similarity | NPC18857 |
0.8316 | Intermediate Similarity | NPC470030 |
0.8298 | Intermediate Similarity | NPC83137 |
0.8298 | Intermediate Similarity | NPC115165 |
0.8298 | Intermediate Similarity | NPC470861 |
0.8298 | Intermediate Similarity | NPC307534 |
0.8298 | Intermediate Similarity | NPC303069 |
0.8298 | Intermediate Similarity | NPC51520 |
0.8298 | Intermediate Similarity | NPC475207 |
0.8298 | Intermediate Similarity | NPC476112 |
0.8298 | Intermediate Similarity | NPC232611 |
0.8298 | Intermediate Similarity | NPC470862 |
0.8298 | Intermediate Similarity | NPC274200 |
0.828 | Intermediate Similarity | NPC469710 |
0.828 | Intermediate Similarity | NPC473610 |
0.828 | Intermediate Similarity | NPC6295 |
0.828 | Intermediate Similarity | NPC475351 |
0.828 | Intermediate Similarity | NPC107188 |
0.828 | Intermediate Similarity | NPC473727 |
0.828 | Intermediate Similarity | NPC19400 |
0.828 | Intermediate Similarity | NPC107962 |
0.828 | Intermediate Similarity | NPC211354 |
0.828 | Intermediate Similarity | NPC206003 |
0.8276 | Intermediate Similarity | NPC477285 |
0.8276 | Intermediate Similarity | NPC111582 |
0.8265 | Intermediate Similarity | NPC306776 |
0.8261 | Intermediate Similarity | NPC172838 |
0.8261 | Intermediate Similarity | NPC473726 |
0.8261 | Intermediate Similarity | NPC137004 |
0.8261 | Intermediate Similarity | NPC35164 |
0.8229 | Intermediate Similarity | NPC476512 |
0.8229 | Intermediate Similarity | NPC108227 |
0.8229 | Intermediate Similarity | NPC475574 |
0.8229 | Intermediate Similarity | NPC472081 |
0.8214 | Intermediate Similarity | NPC476233 |
0.8214 | Intermediate Similarity | NPC185915 |
0.8211 | Intermediate Similarity | NPC291548 |
0.8211 | Intermediate Similarity | NPC473616 |
0.8202 | Intermediate Similarity | NPC477283 |
0.8193 | Intermediate Similarity | NPC243027 |
0.8193 | Intermediate Similarity | NPC196136 |
0.8193 | Intermediate Similarity | NPC158208 |
0.8191 | Intermediate Similarity | NPC475625 |
0.8191 | Intermediate Similarity | NPC30856 |
0.8191 | Intermediate Similarity | NPC476728 |
0.8191 | Intermediate Similarity | NPC116756 |
0.8191 | Intermediate Similarity | NPC470864 |
0.8191 | Intermediate Similarity | NPC284104 |
0.8191 | Intermediate Similarity | NPC160426 |
0.8191 | Intermediate Similarity | NPC287483 |
0.8191 | Intermediate Similarity | NPC470865 |
0.8191 | Intermediate Similarity | NPC97700 |
0.8191 | Intermediate Similarity | NPC145553 |
0.8191 | Intermediate Similarity | NPC237071 |
0.8191 | Intermediate Similarity | NPC470866 |
0.8191 | Intermediate Similarity | NPC98018 |
0.8191 | Intermediate Similarity | NPC470863 |
0.8191 | Intermediate Similarity | NPC132080 |
0.8191 | Intermediate Similarity | NPC203434 |
0.8191 | Intermediate Similarity | NPC238796 |
0.8191 | Intermediate Similarity | NPC128572 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC128475 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 |
---|---|---|---|
0.8571 | High Similarity | NPD6928 | Phase 2 |
0.8462 | Intermediate Similarity | NPD8171 | Discontinued |
0.7805 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.7624 | Intermediate Similarity | NPD8170 | Clinical (unspecified phase) |
0.7347 | Intermediate Similarity | NPD7991 | Discontinued |
0.7093 | Intermediate Similarity | NPD4787 | Phase 1 |
0.7054 | Intermediate Similarity | NPD7516 | Approved |
0.6964 | Remote Similarity | NPD7328 | Approved |
0.6964 | Remote Similarity | NPD7327 | Approved |
0.6923 | Remote Similarity | NPD6697 | Approved |
0.6923 | Remote Similarity | NPD6118 | Approved |
0.6923 | Remote Similarity | NPD6114 | Approved |
0.6923 | Remote Similarity | NPD6115 | Approved |
0.6897 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6854 | Remote Similarity | NPD1811 | Approved |
0.6854 | Remote Similarity | NPD1810 | Approved |
0.6842 | Remote Similarity | NPD8294 | Approved |
0.6842 | Remote Similarity | NPD8377 | Approved |
0.6827 | Remote Similarity | NPD1700 | Approved |
0.6813 | Remote Similarity | NPD6116 | Phase 1 |
0.6786 | Remote Similarity | NPD371 | Approved |
0.6783 | Remote Similarity | NPD8380 | Approved |
0.6783 | Remote Similarity | NPD8296 | Approved |
0.6783 | Remote Similarity | NPD8378 | Approved |
0.6783 | Remote Similarity | NPD8335 | Approved |
0.6783 | Remote Similarity | NPD8379 | Approved |
0.6783 | Remote Similarity | NPD8033 | Approved |
0.6703 | Remote Similarity | NPD6117 | Approved |
0.6696 | Remote Similarity | NPD6059 | Approved |
0.6696 | Remote Similarity | NPD6054 | Approved |
0.6607 | Remote Similarity | NPD8133 | Approved |
0.6596 | Remote Similarity | NPD7525 | Registered |
0.6581 | Remote Similarity | NPD6370 | Approved |
0.6555 | Remote Similarity | NPD7507 | Approved |
0.6517 | Remote Similarity | NPD2254 | Approved |
0.6517 | Remote Similarity | NPD2687 | Approved |
0.6517 | Remote Similarity | NPD2686 | Approved |
0.6514 | Remote Similarity | NPD6412 | Phase 2 |
0.65 | Remote Similarity | NPD7078 | Approved |
0.6496 | Remote Similarity | NPD6016 | Approved |
0.6496 | Remote Similarity | NPD6015 | Approved |
0.6484 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD7492 | Approved |
0.6446 | Remote Similarity | NPD7736 | Approved |
0.6444 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6444 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6441 | Remote Similarity | NPD5988 | Approved |
0.6417 | Remote Similarity | NPD6616 | Approved |
0.6413 | Remote Similarity | NPD3703 | Phase 2 |
0.6393 | Remote Similarity | NPD7319 | Approved |
0.6364 | Remote Similarity | NPD8293 | Discontinued |
0.6356 | Remote Similarity | NPD7503 | Approved |
0.6348 | Remote Similarity | NPD6940 | Discontinued |
0.6333 | Remote Similarity | NPD4245 | Approved |
0.6333 | Remote Similarity | NPD4244 | Approved |
0.6306 | Remote Similarity | NPD8174 | Phase 2 |
0.63 | Remote Similarity | NPD7524 | Approved |
0.625 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6237 | Remote Similarity | NPD3702 | Approved |
0.6224 | Remote Similarity | NPD3669 | Approved |
0.6224 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6222 | Remote Similarity | NPD3698 | Phase 2 |
0.6222 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.6222 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6182 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.6182 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.6179 | Remote Similarity | NPD6033 | Approved |
0.6168 | Remote Similarity | NPD7638 | Approved |
0.6154 | Remote Similarity | NPD6009 | Approved |
0.6116 | Remote Similarity | NPD6067 | Discontinued |
0.6111 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD7639 | Approved |
0.6111 | Remote Similarity | NPD7640 | Approved |
0.6111 | Remote Similarity | NPD5360 | Phase 3 |
0.6087 | Remote Similarity | NPD6882 | Approved |
0.6087 | Remote Similarity | NPD5777 | Approved |
0.6058 | Remote Similarity | NPD8035 | Phase 2 |
0.6058 | Remote Similarity | NPD8034 | Phase 2 |
0.6055 | Remote Similarity | NPD4159 | Approved |
0.6034 | Remote Similarity | NPD4632 | Approved |
0.6018 | Remote Similarity | NPD7320 | Approved |
0.6018 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6319 | Approved |
0.6 | Remote Similarity | NPD7632 | Discontinued |
0.5982 | Remote Similarity | NPD6675 | Approved |
0.5982 | Remote Similarity | NPD7128 | Approved |
0.5982 | Remote Similarity | NPD6402 | Approved |
0.5982 | Remote Similarity | NPD5739 | Approved |
0.5978 | Remote Similarity | NPD4789 | Approved |
0.5965 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5962 | Remote Similarity | NPD6700 | Approved |
0.5962 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.5952 | Remote Similarity | NPD2267 | Suspended |
0.5948 | Remote Similarity | NPD8297 | Approved |
0.5941 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD4748 | Discontinued |
0.5905 | Remote Similarity | NPD6703 | Approved |
0.5905 | Remote Similarity | NPD6702 | Approved |
0.59 | Remote Similarity | NPD6695 | Phase 3 |
0.5882 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD8308 | Discontinued |
0.5877 | Remote Similarity | NPD6899 | Approved |
0.5877 | Remote Similarity | NPD6881 | Approved |
0.5859 | Remote Similarity | NPD8449 | Approved |
0.5841 | Remote Similarity | NPD6008 | Approved |
0.5833 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5826 | Remote Similarity | NPD6373 | Approved |
0.5826 | Remote Similarity | NPD6372 | Approved |
0.5825 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5816 | Remote Similarity | NPD7645 | Phase 2 |
0.5814 | Remote Similarity | NPD8450 | Suspended |
0.5789 | Remote Similarity | NPD5701 | Approved |
0.5789 | Remote Similarity | NPD5697 | Approved |
0.578 | Remote Similarity | NPD4755 | Approved |
0.5778 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5776 | Remote Similarity | NPD7290 | Approved |
0.5776 | Remote Similarity | NPD7102 | Approved |
0.5776 | Remote Similarity | NPD6883 | Approved |
0.5776 | Remote Similarity | NPD4634 | Approved |
0.5766 | Remote Similarity | NPD7625 | Phase 1 |
0.5745 | Remote Similarity | NPD6081 | Approved |
0.5745 | Remote Similarity | NPD4758 | Discontinued |
0.5743 | Remote Similarity | NPD4788 | Approved |
0.5739 | Remote Similarity | NPD6686 | Approved |
0.5729 | Remote Similarity | NPD6942 | Approved |
0.5729 | Remote Similarity | NPD7339 | Approved |
0.5726 | Remote Similarity | NPD6649 | Approved |
0.5726 | Remote Similarity | NPD6617 | Approved |
0.5726 | Remote Similarity | NPD8130 | Phase 1 |
0.5726 | Remote Similarity | NPD6869 | Approved |
0.5726 | Remote Similarity | NPD7604 | Phase 2 |
0.5726 | Remote Similarity | NPD6847 | Approved |
0.5726 | Remote Similarity | NPD6650 | Approved |
0.5714 | Remote Similarity | NPD5364 | Discontinued |
0.5714 | Remote Similarity | NPD3671 | Phase 1 |
0.5703 | Remote Similarity | NPD5956 | Approved |
0.5701 | Remote Similarity | NPD4202 | Approved |
0.57 | Remote Similarity | NPD1779 | Approved |
0.57 | Remote Similarity | NPD1780 | Approved |
0.5691 | Remote Similarity | NPD5983 | Phase 2 |
0.569 | Remote Similarity | NPD6014 | Approved |
0.569 | Remote Similarity | NPD6013 | Approved |
0.569 | Remote Similarity | NPD6012 | Approved |
0.5676 | Remote Similarity | NPD8418 | Phase 2 |
0.5676 | Remote Similarity | NPD5285 | Approved |
0.5676 | Remote Similarity | NPD5286 | Approved |
0.5676 | Remote Similarity | NPD4696 | Approved |
0.5676 | Remote Similarity | NPD4700 | Approved |
0.5673 | Remote Similarity | NPD7750 | Discontinued |
0.567 | Remote Similarity | NPD6933 | Approved |
0.5641 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD6083 | Phase 2 |
0.5636 | Remote Similarity | NPD6084 | Phase 2 |
0.5635 | Remote Similarity | NPD6336 | Discontinued |
0.5603 | Remote Similarity | NPD6011 | Approved |
0.56 | Remote Similarity | NPD6930 | Phase 2 |
0.56 | Remote Similarity | NPD8328 | Phase 3 |
0.56 | Remote Similarity | NPD6931 | Approved |
PubChem CID   | 20833541 |
ChEMBL   | CHEMBL457151 |
ZINC   |
Molecular Weight:   | 478.33 |
ALogP:   | -0.2168 |
MLogP:   | 3.88 |
XLogP:   | 4.229 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 99.38 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 4 |
# Rings:   | 6 |
# Heavy Atoms:   | 34 |