Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 10000 | nM | 9644083 |
NPT395 | Cell Line | SF-268 | Homo sapiens | IC50 | = | 10000 | nM | 18183025 |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | = | 10000 | nM | 18183025 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | IC50 | = | 10000 | nM | 12027740 |
NPT21 | Organism | Aspergillus niger | Aspergillus niger | MIC | = | 250 | ug/ml | 18591275 |
NPT312 | Organism | Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | = | 63 | ug/ml | 18591275 |
NPT602 | Organism | Mycobacterium smegmatis | Mycobacterium smegmatis | MIC | = | 31 | ug/ml | 18591275 |
NPT729 | Organism | Micrococcus luteus | Micrococcus luteus | MIC | = | 125 | ug/ml | 18591275 |
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 NPC81052 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 |
---|---|---|
0.9583 | High Similarity | NPC469495 |
0.9452 | High Similarity | NPC209995 |
0.9324 | High Similarity | NPC200446 |
0.8904 | High Similarity | NPC217725 |
0.8333 | Intermediate Similarity | NPC82315 |
0.8312 | Intermediate Similarity | NPC11796 |
0.8312 | Intermediate Similarity | NPC218817 |
0.8049 | Intermediate Similarity | NPC475206 |
0.7973 | Intermediate Similarity | NPC28526 |
0.7838 | Intermediate Similarity | NPC477980 |
0.7595 | Intermediate Similarity | NPC470899 |
0.7564 | Intermediate Similarity | NPC472966 |
0.7532 | Intermediate Similarity | NPC477983 |
0.7532 | Intermediate Similarity | NPC477981 |
0.75 | Intermediate Similarity | NPC474780 |
0.75 | Intermediate Similarity | NPC151176 |
0.75 | Intermediate Similarity | NPC3464 |
0.75 | Intermediate Similarity | NPC475963 |
0.7442 | Intermediate Similarity | NPC186148 |
0.7442 | Intermediate Similarity | NPC179659 |
0.7439 | Intermediate Similarity | NPC103634 |
0.7412 | Intermediate Similarity | NPC329749 |
0.7412 | Intermediate Similarity | NPC21469 |
0.7368 | Intermediate Similarity | NPC209327 |
0.7368 | Intermediate Similarity | NPC273508 |
0.7356 | Intermediate Similarity | NPC58219 |
0.7356 | Intermediate Similarity | NPC177629 |
0.7356 | Intermediate Similarity | NPC202672 |
0.7326 | Intermediate Similarity | NPC474949 |
0.7326 | Intermediate Similarity | NPC475019 |
0.7303 | Intermediate Similarity | NPC208886 |
0.7303 | Intermediate Similarity | NPC12172 |
0.7303 | Intermediate Similarity | NPC30515 |
0.7303 | Intermediate Similarity | NPC184463 |
0.7273 | Intermediate Similarity | NPC307411 |
0.7273 | Intermediate Similarity | NPC173926 |
0.7273 | Intermediate Similarity | NPC474032 |
0.7273 | Intermediate Similarity | NPC92974 |
0.7273 | Intermediate Similarity | NPC199557 |
0.7253 | Intermediate Similarity | NPC107476 |
0.7237 | Intermediate Similarity | NPC271921 |
0.7237 | Intermediate Similarity | NPC104537 |
0.7237 | Intermediate Similarity | NPC330426 |
0.7237 | Intermediate Similarity | NPC127091 |
0.7237 | Intermediate Similarity | NPC22101 |
0.7237 | Intermediate Similarity | NPC148192 |
0.7229 | Intermediate Similarity | NPC233377 |
0.7222 | Intermediate Similarity | NPC212486 |
0.7222 | Intermediate Similarity | NPC81419 |
0.7222 | Intermediate Similarity | NPC475912 |
0.7222 | Intermediate Similarity | NPC179746 |
0.7215 | Intermediate Similarity | NPC475260 |
0.7215 | Intermediate Similarity | NPC51249 |
0.7215 | Intermediate Similarity | NPC475232 |
0.7215 | Intermediate Similarity | NPC473775 |
0.7215 | Intermediate Similarity | NPC474100 |
0.7215 | Intermediate Similarity | NPC473699 |
0.7209 | Intermediate Similarity | NPC304509 |
0.7209 | Intermediate Similarity | NPC149725 |
0.7209 | Intermediate Similarity | NPC47958 |
0.7191 | Intermediate Similarity | NPC478003 |
0.7191 | Intermediate Similarity | NPC474761 |
0.7191 | Intermediate Similarity | NPC478004 |
0.7191 | Intermediate Similarity | NPC158388 |
0.7191 | Intermediate Similarity | NPC51004 |
0.7191 | Intermediate Similarity | NPC65359 |
0.7191 | Intermediate Similarity | NPC476004 |
0.7179 | Intermediate Similarity | NPC42526 |
0.7143 | Intermediate Similarity | NPC48218 |
0.7143 | Intermediate Similarity | NPC81386 |
0.7143 | Intermediate Similarity | NPC473559 |
0.7143 | Intermediate Similarity | NPC474035 |
0.7143 | Intermediate Similarity | NPC141481 |
0.7143 | Intermediate Similarity | NPC324981 |
0.7126 | Intermediate Similarity | NPC477993 |
0.7126 | Intermediate Similarity | NPC477994 |
0.7126 | Intermediate Similarity | NPC476015 |
0.7126 | Intermediate Similarity | NPC474762 |
0.7111 | Intermediate Similarity | NPC469627 |
0.7108 | Intermediate Similarity | NPC470244 |
0.7108 | Intermediate Similarity | NPC89128 |
0.7108 | Intermediate Similarity | NPC470239 |
0.7105 | Intermediate Similarity | NPC477982 |
0.7093 | Intermediate Similarity | NPC9868 |
0.7093 | Intermediate Similarity | NPC243618 |
0.7093 | Intermediate Similarity | NPC70424 |
0.7093 | Intermediate Similarity | NPC474776 |
0.7089 | Intermediate Similarity | NPC474590 |
0.7079 | Intermediate Similarity | NPC474951 |
0.7079 | Intermediate Similarity | NPC473564 |
0.7073 | Intermediate Similarity | NPC320630 |
0.7073 | Intermediate Similarity | NPC116177 |
0.7073 | Intermediate Similarity | NPC7563 |
0.7065 | Intermediate Similarity | NPC14961 |
0.7065 | Intermediate Similarity | NPC36954 |
0.7065 | Intermediate Similarity | NPC270013 |
0.7059 | Intermediate Similarity | NPC474252 |
0.7059 | Intermediate Similarity | NPC474291 |
0.7051 | Intermediate Similarity | NPC144511 |
0.7051 | Intermediate Similarity | NPC296522 |
0.7045 | Intermediate Similarity | NPC190753 |
0.7045 | Intermediate Similarity | NPC248602 |
0.7033 | Intermediate Similarity | NPC476300 |
0.7033 | Intermediate Similarity | NPC295204 |
0.7033 | Intermediate Similarity | NPC288240 |
0.7033 | Intermediate Similarity | NPC162205 |
0.7033 | Intermediate Similarity | NPC273579 |
0.7027 | Intermediate Similarity | NPC174560 |
0.7027 | Intermediate Similarity | NPC125312 |
0.7024 | Intermediate Similarity | NPC472948 |
0.7024 | Intermediate Similarity | NPC51507 |
0.7013 | Intermediate Similarity | NPC475443 |
0.7013 | Intermediate Similarity | NPC473829 |
0.7013 | Intermediate Similarity | NPC469925 |
0.7 | Intermediate Similarity | NPC206614 |
0.7 | Intermediate Similarity | NPC474323 |
0.7 | Intermediate Similarity | NPC473619 |
0.7 | Intermediate Similarity | NPC313670 |
0.6988 | Remote Similarity | NPC267231 |
0.6986 | Remote Similarity | NPC470363 |
0.6977 | Remote Similarity | NPC250315 |
0.6977 | Remote Similarity | NPC11620 |
0.6966 | Remote Similarity | NPC153805 |
0.6966 | Remote Similarity | NPC281516 |
0.6966 | Remote Similarity | NPC53158 |
0.6962 | Remote Similarity | NPC472955 |
0.6962 | Remote Similarity | NPC476660 |
0.6957 | Remote Similarity | NPC190294 |
0.6957 | Remote Similarity | NPC18357 |
0.6951 | Remote Similarity | NPC476601 |
0.6951 | Remote Similarity | NPC279537 |
0.6941 | Remote Similarity | NPC191711 |
0.6941 | Remote Similarity | NPC126248 |
0.6941 | Remote Similarity | NPC207188 |
0.6941 | Remote Similarity | NPC470241 |
0.6923 | Remote Similarity | NPC70251 |
0.6923 | Remote Similarity | NPC475881 |
0.6923 | Remote Similarity | NPC473321 |
0.6905 | Remote Similarity | NPC19841 |
0.6897 | Remote Similarity | NPC472958 |
0.6897 | Remote Similarity | NPC472957 |
0.6897 | Remote Similarity | NPC72464 |
0.6889 | Remote Similarity | NPC77001 |
0.6889 | Remote Similarity | NPC295312 |
0.6889 | Remote Similarity | NPC253618 |
0.686 | Remote Similarity | NPC89555 |
0.6854 | Remote Similarity | NPC474765 |
0.6849 | Remote Similarity | NPC329819 |
0.6848 | Remote Similarity | NPC475788 |
0.6848 | Remote Similarity | NPC469692 |
0.6848 | Remote Similarity | NPC469645 |
0.6842 | Remote Similarity | NPC474213 |
0.6842 | Remote Similarity | NPC226592 |
0.6842 | Remote Similarity | NPC470320 |
0.6835 | Remote Similarity | NPC473772 |
0.6835 | Remote Similarity | NPC5714 |
0.6829 | Remote Similarity | NPC471491 |
0.6829 | Remote Similarity | NPC324762 |
0.6829 | Remote Similarity | NPC228411 |
0.6824 | Remote Similarity | NPC474981 |
0.6824 | Remote Similarity | NPC469920 |
0.6824 | Remote Similarity | NPC258965 |
0.6824 | Remote Similarity | NPC156658 |
0.6818 | Remote Similarity | NPC255307 |
0.6818 | Remote Similarity | NPC125290 |
0.6818 | Remote Similarity | NPC137033 |
0.6813 | Remote Similarity | NPC474232 |
0.6813 | Remote Similarity | NPC473448 |
0.6813 | Remote Similarity | NPC166554 |
0.6809 | Remote Similarity | NPC476315 |
0.6809 | Remote Similarity | NPC256227 |
0.6809 | Remote Similarity | NPC76862 |
0.6809 | Remote Similarity | NPC158416 |
0.6809 | Remote Similarity | NPC473859 |
0.6809 | Remote Similarity | NPC470883 |
0.6809 | Remote Similarity | NPC476009 |
0.6809 | Remote Similarity | NPC39859 |
0.6804 | Remote Similarity | NPC474747 |
0.6804 | Remote Similarity | NPC225353 |
0.68 | Remote Similarity | NPC201939 |
0.6795 | Remote Similarity | NPC286842 |
0.679 | Remote Similarity | NPC472956 |
0.6786 | Remote Similarity | NPC108816 |
0.6786 | Remote Similarity | NPC192006 |
0.6786 | Remote Similarity | NPC471465 |
0.6786 | Remote Similarity | NPC196653 |
0.6786 | Remote Similarity | NPC93763 |
0.6786 | Remote Similarity | NPC3852 |
0.6786 | Remote Similarity | NPC475616 |
0.6782 | Remote Similarity | NPC111409 |
0.6782 | Remote Similarity | NPC52609 |
0.6782 | Remote Similarity | NPC239308 |
0.6782 | Remote Similarity | NPC253801 |
0.6782 | Remote Similarity | NPC128246 |
0.6782 | Remote Similarity | NPC470948 |
0.6782 | Remote Similarity | NPC1761 |
0.6778 | Remote Similarity | NPC473715 |
0.6778 | Remote Similarity | NPC476706 |
0.6778 | Remote Similarity | NPC87189 |
0.6778 | Remote Similarity | NPC476708 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC81052 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 |
---|---|---|---|
0.7059 | Intermediate Similarity | NPD6435 | Approved |
0.6941 | Remote Similarity | NPD5369 | Approved |
0.6923 | Remote Similarity | NPD7983 | Approved |
0.6842 | Remote Similarity | NPD3197 | Phase 1 |
0.6824 | Remote Similarity | NPD5368 | Approved |
0.6782 | Remote Similarity | NPD7154 | Phase 3 |
0.6742 | Remote Similarity | NPD5786 | Approved |
0.6667 | Remote Similarity | NPD4270 | Approved |
0.6667 | Remote Similarity | NPD4269 | Approved |
0.663 | Remote Similarity | NPD46 | Approved |
0.663 | Remote Similarity | NPD6698 | Approved |
0.6629 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6629 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6623 | Remote Similarity | NPD7909 | Approved |
0.6591 | Remote Similarity | NPD5362 | Discontinued |
0.6591 | Remote Similarity | NPD5331 | Approved |
0.6591 | Remote Similarity | NPD5332 | Approved |
0.6588 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6444 | Remote Similarity | NPD5363 | Approved |
0.6437 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6437 | Remote Similarity | NPD4252 | Approved |
0.6377 | Remote Similarity | NPD622 | Approved |
0.6374 | Remote Similarity | NPD4249 | Approved |
0.6354 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6344 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6344 | Remote Similarity | NPD6101 | Approved |
0.6316 | Remote Similarity | NPD5778 | Approved |
0.6316 | Remote Similarity | NPD3198 | Approved |
0.6316 | Remote Similarity | NPD5779 | Approved |
0.6304 | Remote Similarity | NPD4251 | Approved |
0.6304 | Remote Similarity | NPD4250 | Approved |
0.6301 | Remote Similarity | NPD3730 | Approved |
0.6301 | Remote Similarity | NPD3728 | Approved |
0.6277 | Remote Similarity | NPD5785 | 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 | NPD6411 | Approved |
0.6207 | Remote Similarity | NPD4268 | Approved |
0.6207 | Remote Similarity | NPD4271 | Approved |
0.618 | Remote Similarity | NPD4790 | Discontinued |
0.6164 | Remote Similarity | NPD3172 | Approved |
0.6132 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6122 | Remote Similarity | NPD7839 | Suspended |
0.6105 | Remote Similarity | NPD7838 | Discovery |
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 |
0.6081 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6058 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5370 | Suspended |
0.6 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4225 | Approved |
0.5979 | Remote Similarity | NPD6399 | Phase 3 |
0.5974 | Remote Similarity | NPD6109 | Phase 1 |
0.5918 | Remote Similarity | NPD5282 | Discontinued |
0.5914 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5914 | Remote Similarity | NPD1694 | Approved |
0.5888 | Remote Similarity | NPD6371 | Approved |
0.5876 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.5876 | Remote Similarity | NPD8034 | Phase 2 |
0.5876 | Remote Similarity | NPD8035 | Phase 2 |
0.5862 | Remote Similarity | NPD8039 | Approved |
0.5857 | Remote Similarity | NPD634 | Phase 3 |
0.5854 | Remote Similarity | NPD7331 | Phase 2 |
0.5851 | Remote Similarity | NPD6422 | Discontinued |
0.5849 | Remote Similarity | NPD6686 | Approved |
0.5843 | Remote Similarity | NPD3732 | Approved |
0.5842 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD1695 | Approved |
0.5823 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD8517 | Approved |
0.5789 | Remote Similarity | NPD8516 | Approved |
0.5789 | Remote Similarity | NPD8515 | Approved |
0.5789 | Remote Similarity | NPD8513 | Phase 3 |
0.5783 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5761 | Remote Similarity | NPD3667 | Approved |
0.5727 | Remote Similarity | NPD4632 | Approved |
0.5714 | Remote Similarity | NPD7637 | Suspended |
0.5699 | Remote Similarity | NPD6110 | Phase 1 |
0.5684 | Remote Similarity | NPD5330 | Approved |
0.5684 | Remote Similarity | NPD6684 | Approved |
0.5684 | Remote Similarity | NPD7146 | Approved |
0.5684 | Remote Similarity | NPD7521 | Approved |
0.5684 | Remote Similarity | NPD6409 | Approved |
0.5684 | Remote Similarity | NPD7334 | Approved |
0.5684 | Remote Similarity | NPD3618 | Phase 1 |
0.5676 | Remote Similarity | NPD29 | Approved |
0.5676 | Remote Similarity | NPD28 | Approved |
0.5667 | Remote Similarity | NPD4238 | Approved |
0.5667 | Remote Similarity | NPD4802 | Phase 2 |
0.5664 | Remote Similarity | NPD7641 | Discontinued |
0.5658 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.5644 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.5638 | Remote Similarity | NPD4786 | Approved |
0.5638 | Remote Similarity | NPD3666 | Approved |
0.5638 | Remote Similarity | NPD3665 | Phase 1 |
0.5638 | Remote Similarity | NPD3133 | Approved |
0.5638 | Remote Similarity | NPD5766 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD8297 | Approved |
0.5625 | Remote Similarity | NPD1145 | Discontinued |
0.5616 | Remote Similarity | NPD3173 | Approved |
0.5607 | Remote Similarity | NPD5697 | Approved |
0.5607 | Remote Similarity | NPD6412 | Phase 2 |
0.56 | Remote Similarity | NPD3186 | Phase 1 |
0.56 | Remote Similarity | NPD7748 | Approved |
PubChem CID   | 44606075 |
ChEMBL   | CHEMBL1080662 |
ZINC   |
Molecular Weight:   | 326.19 |
ALogP:   | 1.4834 |
MLogP:   | 3.44 |
XLogP:   | 5.843 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 46.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 24 |