Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 154800 | nM | 25537529 |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | > | 30900 | nM | 25136754 |
NPT485 | Organism | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum K1 | IC50 | > | 30900 | nM | 18543965 |
NPT639 | Cell Line | NCI-H187 | Homo sapiens | IC50 | = | 22900 | nM | 17315955 |
NPT2 | Others | Unspecified | IC50 | = | 29200 | nM | 26546220 |
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 NPC475342 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 |
---|---|---|
0.8085 | Intermediate Similarity | NPC97580 |
0.7808 | Intermediate Similarity | NPC41162 |
0.7755 | Intermediate Similarity | NPC120335 |
0.766 | Intermediate Similarity | NPC476155 |
0.766 | Intermediate Similarity | NPC17581 |
0.7483 | Intermediate Similarity | NPC470788 |
0.7292 | Intermediate Similarity | NPC470300 |
0.7248 | Intermediate Similarity | NPC247902 |
0.7248 | Intermediate Similarity | NPC262880 |
0.7181 | Intermediate Similarity | NPC309525 |
0.7179 | Intermediate Similarity | NPC475609 |
0.7083 | Intermediate Similarity | NPC272166 |
0.7063 | Intermediate Similarity | NPC276822 |
0.7034 | Intermediate Similarity | NPC66007 |
0.6993 | Remote Similarity | NPC469455 |
0.6879 | Remote Similarity | NPC82129 |
0.6623 | Remote Similarity | NPC11379 |
0.651 | Remote Similarity | NPC474984 |
0.6486 | Remote Similarity | NPC474995 |
0.6479 | Remote Similarity | NPC188785 |
0.6442 | Remote Similarity | NPC25025 |
0.6398 | Remote Similarity | NPC99864 |
0.6392 | Remote Similarity | NPC8325 |
0.6376 | Remote Similarity | NPC314550 |
0.6335 | Remote Similarity | NPC120420 |
0.6327 | Remote Similarity | NPC474099 |
0.6319 | Remote Similarity | NPC473289 |
0.6316 | Remote Similarity | NPC28542 |
0.6303 | Remote Similarity | NPC315848 |
0.6303 | Remote Similarity | NPC315210 |
0.6294 | Remote Similarity | NPC474985 |
0.6259 | Remote Similarity | NPC271562 |
0.6258 | Remote Similarity | NPC315188 |
0.625 | Remote Similarity | NPC477988 |
0.6242 | Remote Similarity | NPC469999 |
0.6242 | Remote Similarity | NPC469603 |
0.6233 | Remote Similarity | NPC133420 |
0.6194 | Remote Similarity | NPC477140 |
0.6194 | Remote Similarity | NPC477143 |
0.6185 | Remote Similarity | NPC314050 |
0.6185 | Remote Similarity | NPC315809 |
0.6184 | Remote Similarity | NPC103391 |
0.6184 | Remote Similarity | NPC472536 |
0.6173 | Remote Similarity | NPC133089 |
0.6169 | Remote Similarity | NPC174463 |
0.6169 | Remote Similarity | NPC235625 |
0.6139 | Remote Similarity | NPC211848 |
0.6125 | Remote Similarity | NPC173173 |
0.6125 | Remote Similarity | NPC471086 |
0.6118 | Remote Similarity | NPC471680 |
0.6098 | Remote Similarity | NPC239252 |
0.6098 | Remote Similarity | NPC473703 |
0.6093 | Remote Similarity | NPC476875 |
0.609 | Remote Similarity | NPC230849 |
0.6082 | Remote Similarity | NPC314358 |
0.6065 | Remote Similarity | NPC201889 |
0.6065 | Remote Similarity | NPC106791 |
0.6062 | Remote Similarity | NPC476951 |
0.6054 | Remote Similarity | NPC199831 |
0.6054 | Remote Similarity | NPC68001 |
0.6054 | Remote Similarity | NPC474828 |
0.6054 | Remote Similarity | NPC474827 |
0.6038 | Remote Similarity | NPC36254 |
0.6037 | Remote Similarity | NPC313348 |
0.6037 | Remote Similarity | NPC475987 |
0.6036 | Remote Similarity | NPC475278 |
0.6036 | Remote Similarity | NPC247776 |
0.6036 | Remote Similarity | NPC475266 |
0.6036 | Remote Similarity | NPC304299 |
0.6036 | Remote Similarity | NPC309450 |
0.6023 | Remote Similarity | NPC243412 |
0.6023 | Remote Similarity | NPC316008 |
0.6023 | Remote Similarity | NPC313867 |
0.6013 | Remote Similarity | NPC273185 |
0.6012 | Remote Similarity | NPC161644 |
0.6 | Remote Similarity | NPC6531 |
0.6 | Remote Similarity | NPC475642 |
0.6 | Remote Similarity | NPC329401 |
0.6 | Remote Similarity | NPC477987 |
0.599 | Remote Similarity | NPC329731 |
0.5988 | Remote Similarity | NPC25327 |
0.5987 | Remote Similarity | NPC58281 |
0.5987 | Remote Similarity | NPC21713 |
0.5987 | Remote Similarity | NPC475608 |
0.5986 | Remote Similarity | NPC474244 |
0.5975 | Remote Similarity | NPC314629 |
0.5969 | Remote Similarity | NPC184933 |
0.5969 | Remote Similarity | NPC59827 |
0.5965 | Remote Similarity | NPC315283 |
0.5965 | Remote Similarity | NPC314388 |
0.5965 | Remote Similarity | NPC476978 |
0.5962 | Remote Similarity | NPC471673 |
0.5951 | Remote Similarity | NPC307165 |
0.5951 | Remote Similarity | NPC215507 |
0.5949 | Remote Similarity | NPC23963 |
0.5941 | Remote Similarity | NPC71866 |
0.5938 | Remote Similarity | NPC477985 |
0.5938 | Remote Similarity | NPC326386 |
0.5938 | Remote Similarity | NPC471087 |
0.5935 | Remote Similarity | NPC30196 |
0.5933 | Remote Similarity | NPC176773 |
0.5926 | Remote Similarity | NPC220396 |
0.5922 | Remote Similarity | NPC327517 |
0.5922 | Remote Similarity | NPC321485 |
0.5922 | Remote Similarity | NPC319334 |
0.5922 | Remote Similarity | NPC322372 |
0.5922 | Remote Similarity | NPC317377 |
0.5915 | Remote Similarity | NPC316401 |
0.5915 | Remote Similarity | NPC261730 |
0.5909 | Remote Similarity | NPC469597 |
0.5906 | Remote Similarity | NPC469604 |
0.5906 | Remote Similarity | NPC142761 |
0.5901 | Remote Similarity | NPC474371 |
0.5897 | Remote Similarity | NPC65045 |
0.5894 | Remote Similarity | NPC171734 |
0.5894 | Remote Similarity | NPC207820 |
0.589 | Remote Similarity | NPC97861 |
0.589 | Remote Similarity | NPC316205 |
0.589 | Remote Similarity | NPC315387 |
0.5882 | Remote Similarity | NPC317362 |
0.5882 | Remote Similarity | NPC30911 |
0.5882 | Remote Similarity | NPC316984 |
0.5882 | Remote Similarity | NPC318930 |
0.5882 | Remote Similarity | NPC477462 |
0.5879 | Remote Similarity | NPC477527 |
0.5875 | Remote Similarity | NPC477990 |
0.5875 | Remote Similarity | NPC318445 |
0.5875 | Remote Similarity | NPC316133 |
0.5875 | Remote Similarity | NPC111162 |
0.5875 | Remote Similarity | NPC293550 |
0.5875 | Remote Similarity | NPC323168 |
0.5875 | Remote Similarity | NPC477989 |
0.5867 | Remote Similarity | NPC93179 |
0.5864 | Remote Similarity | NPC470903 |
0.5864 | Remote Similarity | NPC167763 |
0.5864 | Remote Similarity | NPC314282 |
0.5864 | Remote Similarity | NPC470112 |
0.5862 | Remote Similarity | NPC135121 |
0.586 | Remote Similarity | NPC476952 |
0.586 | Remote Similarity | NPC315974 |
0.586 | Remote Similarity | NPC471109 |
0.5858 | Remote Similarity | NPC473955 |
0.5855 | Remote Similarity | NPC298484 |
0.585 | Remote Similarity | NPC26597 |
0.5849 | Remote Similarity | NPC156379 |
0.5849 | Remote Similarity | NPC475383 |
0.5844 | Remote Similarity | NPC261750 |
0.5844 | Remote Similarity | NPC1111 |
0.5839 | Remote Similarity | NPC314512 |
0.5839 | Remote Similarity | NPC314451 |
0.5839 | Remote Similarity | NPC313333 |
0.5839 | Remote Similarity | NPC313342 |
0.5839 | Remote Similarity | NPC476877 |
0.5833 | Remote Similarity | NPC288629 |
0.5829 | Remote Similarity | NPC137627 |
0.5825 | Remote Similarity | NPC4910 |
0.5824 | Remote Similarity | NPC281104 |
0.5823 | Remote Similarity | NPC241050 |
0.5822 | Remote Similarity | NPC476344 |
0.5817 | Remote Similarity | NPC127578 |
0.5816 | Remote Similarity | NPC477526 |
0.5814 | Remote Similarity | NPC160222 |
0.5814 | Remote Similarity | NPC193753 |
0.5814 | Remote Similarity | NPC956 |
0.5806 | Remote Similarity | NPC475123 |
0.5806 | Remote Similarity | NPC193471 |
0.5806 | Remote Similarity | NPC130124 |
0.5806 | Remote Similarity | NPC475204 |
0.5806 | Remote Similarity | NPC309731 |
0.5805 | Remote Similarity | NPC471674 |
0.5805 | Remote Similarity | NPC201899 |
0.58 | Remote Similarity | NPC44514 |
0.58 | Remote Similarity | NPC64168 |
0.58 | Remote Similarity | NPC205176 |
0.5796 | Remote Similarity | NPC201968 |
0.5795 | Remote Similarity | NPC283783 |
0.5793 | Remote Similarity | NPC470539 |
0.5793 | Remote Similarity | NPC150041 |
0.5789 | Remote Similarity | NPC469800 |
0.5789 | Remote Similarity | NPC239762 |
0.5789 | Remote Similarity | NPC163392 |
0.5787 | Remote Similarity | NPC473341 |
0.5779 | Remote Similarity | NPC474411 |
0.5779 | Remote Similarity | NPC474431 |
0.5779 | Remote Similarity | NPC168758 |
0.5779 | Remote Similarity | NPC47857 |
0.5779 | Remote Similarity | NPC181510 |
0.5767 | Remote Similarity | NPC473249 |
0.5762 | Remote Similarity | NPC476876 |
0.5752 | Remote Similarity | NPC329305 |
0.5752 | Remote Similarity | NPC474891 |
0.5752 | Remote Similarity | NPC470536 |
0.575 | Remote Similarity | NPC470000 |
0.5747 | Remote Similarity | NPC477519 |
0.5747 | Remote Similarity | NPC201244 |
0.5747 | Remote Similarity | NPC477217 |
0.5742 | Remote Similarity | NPC273215 |
0.5742 | Remote Similarity | NPC268327 |
0.5742 | Remote Similarity | NPC60432 |
0.5742 | Remote Similarity | NPC295444 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC475342 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 |
---|---|---|---|
0.7083 | Intermediate Similarity | NPD1000 | Clinical (unspecified phase) |
0.6516 | Remote Similarity | NPD8273 | Phase 1 |
0.6398 | Remote Similarity | NPD8415 | Approved |
0.6358 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.6101 | Remote Similarity | NPD3677 | Clinical (unspecified phase) |
0.609 | Remote Similarity | NPD2645 | Approved |
0.6071 | Remote Similarity | NPD8384 | Approved |
0.6065 | Remote Similarity | NPD1773 | Discontinued |
0.6026 | Remote Similarity | NPD3159 | Discontinued |
0.6023 | Remote Similarity | NPD5265 | Approved |
0.6023 | Remote Similarity | NPD5264 | Approved |
0.5989 | Remote Similarity | NPD8414 | Discontinued |
0.5976 | Remote Similarity | NPD6077 | Discontinued |
0.5951 | Remote Similarity | NPD7751 | Phase 1 |
0.5912 | Remote Similarity | NPD1806 | Approved |
0.5909 | Remote Similarity | NPD1376 | Discontinued |
0.5906 | Remote Similarity | NPD5193 | Discontinued |
0.5901 | Remote Similarity | NPD8451 | Approved |
0.59 | Remote Similarity | NPD7896 | Approved |
0.5886 | Remote Similarity | NPD7299 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD2204 | Approved |
0.5875 | Remote Similarity | NPD7642 | Approved |
0.5864 | Remote Similarity | NPD8448 | Approved |
0.586 | Remote Similarity | NPD7641 | Discontinued |
0.5854 | Remote Similarity | NPD8390 | Approved |
0.5854 | Remote Similarity | NPD8391 | Approved |
0.5854 | Remote Similarity | NPD8392 | Approved |
0.5839 | Remote Similarity | NPD8341 | Approved |
0.5839 | Remote Similarity | NPD8299 | Approved |
0.5839 | Remote Similarity | NPD8340 | Approved |
0.5839 | Remote Similarity | NPD8342 | Approved |
0.5824 | Remote Similarity | NPD2567 | Approved |
0.5824 | Remote Similarity | NPD2569 | Approved |
0.5823 | Remote Similarity | NPD2495 | Phase 3 |
0.5823 | Remote Similarity | NPD7518 | Approved |
0.5823 | Remote Similarity | NPD7519 | Approved |
0.5823 | Remote Similarity | NPD7517 | Approved |
0.5813 | Remote Similarity | NPD2838 | Clinical (unspecified phase) |
0.5799 | Remote Similarity | NPD5767 | Discontinued |
0.5783 | Remote Similarity | NPD6845 | Suspended |
0.5767 | Remote Similarity | NPD7747 | Phase 1 |
0.5767 | Remote Similarity | NPD7746 | Phase 1 |
0.5765 | Remote Similarity | NPD5725 | Approved |
0.5765 | Remote Similarity | NPD6073 | Approved |
0.5762 | Remote Similarity | NPD777 | Phase 3 |
0.5731 | Remote Similarity | NPD4126 | Approved |
0.5723 | Remote Similarity | NPD7260 | Phase 2 |
0.5714 | Remote Similarity | NPD7623 | Phase 3 |
0.5714 | Remote Similarity | NPD7624 | Clinical (unspecified phase) |
0.5679 | Remote Similarity | NPD7829 | Approved |
0.5679 | Remote Similarity | NPD7830 | Approved |
0.566 | Remote Similarity | NPD2099 | Approved |
0.5652 | Remote Similarity | NPD6518 | Discontinued |
0.5652 | Remote Similarity | NPD8444 | Approved |
0.5635 | Remote Similarity | NPD5852 | Approved |
0.5635 | Remote Similarity | NPD5851 | Approved |
0.5625 | Remote Similarity | NPD2132 | Phase 3 |
0.5617 | Remote Similarity | NPD1748 | Approved |
0.5617 | Remote Similarity | NPD8080 | Discontinued |
0.561 | Remote Similarity | NPD2148 | Clinical (unspecified phase) |
PubChem CID   | 16059793 |
ChEMBL   | CHEMBL503796 |
ZINC   |
Molecular Weight:   | 646.20 |
ALogP:   | 0.4076 |
MLogP:   | 3.44 |
XLogP:   | -0.492 |
# Rotatable Bonds:   | 18 |
Polar Surface Area:   | 204.51 |
# H-Bond Aceptor:   | 11 |
# H-Bond Donor:   | 3 |
# Rings:   | 5 |
# Heavy Atoms:   | 44 |