Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT397 | Cell Line | NCI-H460 | Homo sapiens | IC50 | > | 500000 | nM | 17988093 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 20 | ug/ml | 10924160 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 20 | ug/ml | 19459643 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | > | 128000 | nM | 21078949 |
NPT2 | Others | Unspecified | ED50 | > | 20 | ug/ml | 16933889 | |
NPT1851 | Cell Line | Col2 | Homo sapiens | ED50 | > | 20 | ug/ml | 12877593 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 20 | nM | Open TG-GATES in vivo data: Biochemistry |
NPT2 | Others | Unspecified | ED50 | > | 20 | nM | Open TG-GATES in vivo data: Biochemistry | |
NPT1034 | Cell Line | Lu1 | Homo sapiens | ED50 | > | 20 | ug/ml | 19251414 |
NPT1034 | Cell Line | Lu1 | Homo sapiens | ED50 | > | 20 | nM | 24775304 |
NPT858 | Cell Line | LNCaP | Homo sapiens | ED50 | > | 20 | ug/ml | 22584254 |
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 NPC97736 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 | NPC50228 |
0.9844 | High Similarity | NPC285003 |
0.9844 | High Similarity | NPC211428 |
0.9844 | High Similarity | NPC241265 |
0.9531 | High Similarity | NPC206601 |
0.9524 | High Similarity | NPC76881 |
0.9524 | High Similarity | NPC12040 |
0.9403 | High Similarity | NPC225748 |
0.9403 | High Similarity | NPC163812 |
0.9403 | High Similarity | NPC39266 |
0.9403 | High Similarity | NPC169085 |
0.9403 | High Similarity | NPC9763 |
0.9403 | High Similarity | NPC206823 |
0.9219 | High Similarity | NPC471761 |
0.9219 | High Similarity | NPC190418 |
0.9219 | High Similarity | NPC471760 |
0.9091 | High Similarity | NPC250619 |
0.9 | High Similarity | NPC477350 |
0.8971 | High Similarity | NPC184550 |
0.8971 | High Similarity | NPC185419 |
0.8906 | High Similarity | NPC325773 |
0.8873 | High Similarity | NPC476781 |
0.8873 | High Similarity | NPC476783 |
0.8873 | High Similarity | NPC476782 |
0.8873 | High Similarity | NPC216883 |
0.8841 | High Similarity | NPC291228 |
0.8841 | High Similarity | NPC308096 |
0.8806 | High Similarity | NPC67099 |
0.875 | High Similarity | NPC477328 |
0.875 | High Similarity | NPC477323 |
0.875 | High Similarity | NPC477326 |
0.875 | High Similarity | NPC113745 |
0.875 | High Similarity | NPC475425 |
0.875 | High Similarity | NPC477329 |
0.875 | High Similarity | NPC109887 |
0.875 | High Similarity | NPC477330 |
0.875 | High Similarity | NPC281563 |
0.875 | High Similarity | NPC477320 |
0.875 | High Similarity | NPC477325 |
0.875 | High Similarity | NPC146380 |
0.863 | High Similarity | NPC85759 |
0.863 | High Similarity | NPC294748 |
0.863 | High Similarity | NPC158302 |
0.863 | High Similarity | NPC477344 |
0.863 | High Similarity | NPC146992 |
0.863 | High Similarity | NPC477346 |
0.863 | High Similarity | NPC22742 |
0.8594 | High Similarity | NPC477755 |
0.8594 | High Similarity | NPC477753 |
0.8594 | High Similarity | NPC477762 |
0.8594 | High Similarity | NPC477763 |
0.8594 | High Similarity | NPC477757 |
0.8594 | High Similarity | NPC477750 |
0.8551 | High Similarity | NPC53760 |
0.8551 | High Similarity | NPC52268 |
0.8514 | High Similarity | NPC267592 |
0.8413 | Intermediate Similarity | NPC472025 |
0.84 | Intermediate Similarity | NPC477318 |
0.84 | Intermediate Similarity | NPC184915 |
0.84 | Intermediate Similarity | NPC472204 |
0.84 | Intermediate Similarity | NPC238056 |
0.84 | Intermediate Similarity | NPC44782 |
0.84 | Intermediate Similarity | NPC183888 |
0.84 | Intermediate Similarity | NPC472205 |
0.84 | Intermediate Similarity | NPC477317 |
0.84 | Intermediate Similarity | NPC27289 |
0.84 | Intermediate Similarity | NPC475667 |
0.84 | Intermediate Similarity | NPC259294 |
0.84 | Intermediate Similarity | NPC307400 |
0.84 | Intermediate Similarity | NPC169345 |
0.84 | Intermediate Similarity | NPC186992 |
0.84 | Intermediate Similarity | NPC126685 |
0.84 | Intermediate Similarity | NPC477319 |
0.84 | Intermediate Similarity | NPC477347 |
0.84 | Intermediate Similarity | NPC173328 |
0.84 | Intermediate Similarity | NPC476087 |
0.84 | Intermediate Similarity | NPC123204 |
0.84 | Intermediate Similarity | NPC269318 |
0.84 | Intermediate Similarity | NPC89843 |
0.84 | Intermediate Similarity | NPC143421 |
0.84 | Intermediate Similarity | NPC475327 |
0.84 | Intermediate Similarity | NPC472203 |
0.84 | Intermediate Similarity | NPC472202 |
0.84 | Intermediate Similarity | NPC472200 |
0.84 | Intermediate Similarity | NPC297768 |
0.84 | Intermediate Similarity | NPC119583 |
0.84 | Intermediate Similarity | NPC290012 |
0.84 | Intermediate Similarity | NPC115013 |
0.84 | Intermediate Similarity | NPC224953 |
0.84 | Intermediate Similarity | NPC475270 |
0.84 | Intermediate Similarity | NPC472201 |
0.84 | Intermediate Similarity | NPC477331 |
0.8254 | Intermediate Similarity | NPC148424 |
0.8182 | Intermediate Similarity | NPC477332 |
0.8182 | Intermediate Similarity | NPC473500 |
0.8182 | Intermediate Similarity | NPC472352 |
0.8182 | Intermediate Similarity | NPC38295 |
0.8182 | Intermediate Similarity | NPC470313 |
0.8182 | Intermediate Similarity | NPC60849 |
0.8182 | Intermediate Similarity | NPC156089 |
0.8 | Intermediate Similarity | NPC320032 |
0.8 | Intermediate Similarity | NPC322855 |
0.7971 | Intermediate Similarity | NPC477751 |
0.7971 | Intermediate Similarity | NPC477764 |
0.7971 | Intermediate Similarity | NPC477752 |
0.7971 | Intermediate Similarity | NPC477756 |
0.7937 | Intermediate Similarity | NPC303727 |
0.7922 | Intermediate Similarity | NPC21693 |
0.7922 | Intermediate Similarity | NPC236649 |
0.7857 | Intermediate Similarity | NPC477754 |
0.7857 | Intermediate Similarity | NPC32148 |
0.7857 | Intermediate Similarity | NPC477761 |
0.7857 | Intermediate Similarity | NPC477759 |
0.7857 | Intermediate Similarity | NPC477758 |
0.7857 | Intermediate Similarity | NPC477760 |
0.7794 | Intermediate Similarity | NPC268243 |
0.7778 | Intermediate Similarity | NPC145112 |
0.7778 | Intermediate Similarity | NPC58629 |
0.7778 | Intermediate Similarity | NPC107914 |
0.7778 | Intermediate Similarity | NPC246558 |
0.7778 | Intermediate Similarity | NPC157514 |
0.7778 | Intermediate Similarity | NPC242073 |
0.7778 | Intermediate Similarity | NPC89145 |
0.7778 | Intermediate Similarity | NPC269166 |
0.7778 | Intermediate Similarity | NPC165198 |
0.7778 | Intermediate Similarity | NPC67660 |
0.7727 | Intermediate Similarity | NPC317023 |
0.7727 | Intermediate Similarity | NPC290179 |
0.7727 | Intermediate Similarity | NPC34877 |
0.7656 | Intermediate Similarity | NPC320588 |
0.7656 | Intermediate Similarity | NPC53463 |
0.7656 | Intermediate Similarity | NPC23155 |
0.7656 | Intermediate Similarity | NPC469937 |
0.7654 | Intermediate Similarity | NPC470657 |
0.7632 | Intermediate Similarity | NPC110813 |
0.7625 | Intermediate Similarity | NPC288471 |
0.7561 | Intermediate Similarity | NPC31349 |
0.7532 | Intermediate Similarity | NPC133377 |
0.7531 | Intermediate Similarity | NPC83839 |
0.75 | Intermediate Similarity | NPC472026 |
0.746 | Intermediate Similarity | NPC23134 |
0.746 | Intermediate Similarity | NPC124963 |
0.746 | Intermediate Similarity | NPC233726 |
0.746 | Intermediate Similarity | NPC326533 |
0.7412 | Intermediate Similarity | NPC477349 |
0.7403 | Intermediate Similarity | NPC474003 |
0.7349 | Intermediate Similarity | NPC314364 |
0.7349 | Intermediate Similarity | NPC51662 |
0.7297 | Intermediate Similarity | NPC321873 |
0.7262 | Intermediate Similarity | NPC470009 |
0.7241 | Intermediate Similarity | NPC163409 |
0.7241 | Intermediate Similarity | NPC44682 |
0.7241 | Intermediate Similarity | NPC477348 |
0.7241 | Intermediate Similarity | NPC477345 |
0.7241 | Intermediate Similarity | NPC238264 |
0.7231 | Intermediate Similarity | NPC130683 |
0.7231 | Intermediate Similarity | NPC323361 |
0.7195 | Intermediate Similarity | NPC192025 |
0.7195 | Intermediate Similarity | NPC253975 |
0.7195 | Intermediate Similarity | NPC125253 |
0.7183 | Intermediate Similarity | NPC6848 |
0.716 | Intermediate Similarity | NPC248415 |
0.7143 | Intermediate Similarity | NPC157193 |
0.7143 | Intermediate Similarity | NPC282143 |
0.7143 | Intermediate Similarity | NPC42503 |
0.7143 | Intermediate Similarity | NPC299781 |
0.7105 | Intermediate Similarity | NPC55652 |
0.7101 | Intermediate Similarity | NPC470363 |
0.7083 | Intermediate Similarity | NPC147292 |
0.7079 | Intermediate Similarity | NPC473765 |
0.7079 | Intermediate Similarity | NPC475375 |
0.7079 | Intermediate Similarity | NPC475525 |
0.7079 | Intermediate Similarity | NPC475593 |
0.7079 | Intermediate Similarity | NPC475540 |
0.7079 | Intermediate Similarity | NPC476066 |
0.7079 | Intermediate Similarity | NPC143446 |
0.7079 | Intermediate Similarity | NPC475241 |
0.7079 | Intermediate Similarity | NPC475164 |
0.7079 | Intermediate Similarity | NPC473605 |
0.7073 | Intermediate Similarity | NPC474266 |
0.7067 | Intermediate Similarity | NPC474078 |
0.7059 | Intermediate Similarity | NPC219040 |
0.7042 | Intermediate Similarity | NPC317651 |
0.7042 | Intermediate Similarity | NPC258690 |
0.7011 | Intermediate Similarity | NPC472197 |
0.6984 | Remote Similarity | NPC14144 |
0.6966 | Remote Similarity | NPC215570 |
0.6951 | Remote Similarity | NPC475849 |
0.6932 | Remote Similarity | NPC320089 |
0.6914 | Remote Similarity | NPC163362 |
0.6914 | Remote Similarity | NPC127295 |
0.6875 | Remote Similarity | NPC26253 |
0.6866 | Remote Similarity | NPC289979 |
0.6842 | Remote Similarity | NPC471879 |
0.6835 | Remote Similarity | NPC279575 |
0.6829 | Remote Similarity | NPC216941 |
0.6829 | Remote Similarity | NPC469469 |
0.6825 | Remote Similarity | NPC321087 |
0.6825 | Remote Similarity | NPC277475 |
0.6818 | Remote Similarity | NPC472199 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC97736 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 |
---|---|---|---|
0.7895 | Intermediate Similarity | NPD7329 | Approved |
0.7857 | Intermediate Similarity | NPD898 | Approved |
0.7857 | Intermediate Similarity | NPD896 | Approved |
0.7857 | Intermediate Similarity | NPD897 | Approved |
0.7808 | Intermediate Similarity | NPD3181 | Approved |
0.7778 | Intermediate Similarity | NPD893 | Approved |
0.7778 | Intermediate Similarity | NPD890 | Clinical (unspecified phase) |
0.7778 | Intermediate Similarity | NPD891 | Phase 3 |
0.7778 | Intermediate Similarity | NPD888 | Phase 3 |
0.7778 | Intermediate Similarity | NPD892 | Phase 3 |
0.7656 | Intermediate Similarity | NPD3730 | Approved |
0.7656 | Intermediate Similarity | NPD3728 | Approved |
0.7619 | Intermediate Similarity | NPD2269 | Approved |
0.75 | Intermediate Similarity | NPD6123 | Approved |
0.746 | Intermediate Similarity | NPD904 | Phase 3 |
0.746 | Intermediate Similarity | NPD905 | Approved |
0.7231 | Intermediate Similarity | NPD889 | Approved |
0.7231 | Intermediate Similarity | NPD887 | Approved |
0.7231 | Intermediate Similarity | NPD895 | Approved |
0.7231 | Intermediate Similarity | NPD894 | Approved |
0.7164 | Intermediate Similarity | NPD2267 | Suspended |
0.7121 | Intermediate Similarity | NPD7346 | Approved |
0.7042 | Intermediate Similarity | NPD8961 | Approved |
0.6842 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6719 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.6702 | Remote Similarity | NPD8138 | Approved |
0.6702 | Remote Similarity | NPD8086 | Approved |
0.6702 | Remote Similarity | NPD8084 | Approved |
0.6702 | Remote Similarity | NPD8083 | Approved |
0.6702 | Remote Similarity | NPD8082 | Approved |
0.6702 | Remote Similarity | NPD8085 | Approved |
0.6702 | Remote Similarity | NPD8139 | Approved |
0.6667 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD3669 | Approved |
0.6667 | Remote Similarity | NPD8997 | Approved |
0.6667 | Remote Similarity | NPD8993 | Phase 1 |
0.6667 | Remote Similarity | NPD8998 | Phase 2 |
0.6667 | Remote Similarity | NPD8999 | Phase 3 |
0.6667 | Remote Similarity | NPD9000 | Phase 3 |
0.6632 | Remote Similarity | NPD8275 | Approved |
0.6632 | Remote Similarity | NPD8276 | Approved |
0.6571 | Remote Similarity | NPD369 | Approved |
0.6571 | Remote Similarity | NPD8959 | Approved |
0.6562 | Remote Similarity | NPD8081 | Approved |
0.6495 | Remote Similarity | NPD8393 | Approved |
0.6462 | Remote Similarity | NPD8965 | Approved |
0.6462 | Remote Similarity | NPD8966 | Approved |
0.6429 | Remote Similarity | NPD8307 | Discontinued |
0.6429 | Remote Similarity | NPD8140 | Approved |
0.6374 | Remote Similarity | NPD1446 | Phase 3 |
0.6374 | Remote Similarity | NPD1447 | Phase 3 |
0.6351 | Remote Similarity | NPD847 | Phase 1 |
0.6344 | Remote Similarity | NPD6428 | Approved |
0.63 | Remote Similarity | NPD6941 | Approved |
0.63 | Remote Similarity | NPD8306 | Approved |
0.63 | Remote Similarity | NPD8305 | Approved |
0.6267 | Remote Similarity | NPD7909 | Approved |
0.625 | Remote Similarity | NPD2699 | Approved |
0.6238 | Remote Similarity | NPD8087 | Discontinued |
0.6235 | Remote Similarity | NPD1779 | Approved |
0.6235 | Remote Similarity | NPD1780 | Approved |
0.6232 | Remote Similarity | NPD9036 | Phase 3 |
0.6232 | Remote Similarity | NPD9035 | Clinical (unspecified phase) |
0.6224 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6211 | Remote Similarity | NPD2255 | Approved |
0.62 | Remote Similarity | NPD6686 | Approved |
0.6197 | Remote Similarity | NPD73 | Approved |
0.619 | Remote Similarity | NPD8788 | Approved |
0.6186 | Remote Similarity | NPD7139 | Approved |
0.6186 | Remote Similarity | NPD7140 | Approved |
0.6186 | Remote Similarity | NPD7141 | Clinical (unspecified phase) |
0.6176 | Remote Similarity | NPD1399 | Approved |
0.6176 | Remote Similarity | NPD1400 | Approved |
0.6154 | Remote Similarity | NPD46 | Approved |
0.6154 | Remote Similarity | NPD6698 | Approved |
0.6143 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6139 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD618 | Clinical (unspecified phase) |
0.6058 | Remote Similarity | NPD8133 | Approved |
0.6044 | Remote Similarity | NPD3716 | Discontinued |
0.5976 | Remote Similarity | NPD1811 | Approved |
0.5976 | Remote Similarity | NPD1810 | Approved |
0.5938 | Remote Similarity | NPD881 | Approved |
0.5904 | Remote Similarity | NPD376 | Approved |
0.5904 | Remote Similarity | NPD11 | Approved |
0.5888 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5888 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD4802 | Phase 2 |
0.5882 | Remote Similarity | NPD4238 | Approved |
0.5876 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD7536 | Approved |
0.5865 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD8300 | Approved |
0.5859 | Remote Similarity | NPD8301 | Approved |
0.5857 | Remote Similarity | NPD8960 | Approved |
0.5857 | Remote Similarity | NPD64 | Approved |
0.5857 | Remote Similarity | NPD72 | Approved |
0.5857 | Remote Similarity | NPD65 | Approved |
0.5857 | Remote Similarity | NPD66 | Approved |
0.5857 | Remote Similarity | NPD9008 | Approved |
0.5857 | Remote Similarity | NPD9010 | Approved |
0.5857 | Remote Similarity | NPD9009 | Approved |
0.5857 | Remote Similarity | NPD9011 | Approved |
0.5857 | Remote Similarity | NPD9007 | Approved |
0.5851 | Remote Similarity | NPD8171 | Discontinued |
0.5846 | Remote Similarity | NPD9006 | Approved |
0.5844 | Remote Similarity | NPD1457 | Discontinued |
0.5795 | Remote Similarity | NPD882 | Phase 2 |
0.5795 | Remote Similarity | NPD883 | Phase 2 |
0.5784 | Remote Similarity | NPD6412 | Phase 2 |
0.5781 | Remote Similarity | NPD2270 | Approved |
0.5745 | Remote Similarity | NPD7983 | Approved |
0.5743 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5743 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.5727 | Remote Similarity | NPD8347 | Approved |
0.5727 | Remote Similarity | NPD8346 | Approved |
0.5727 | Remote Similarity | NPD8345 | Approved |
0.5679 | Remote Similarity | NPD8277 | Approved |
0.5676 | Remote Similarity | NPD8513 | Phase 3 |
0.5676 | Remote Similarity | NPD8517 | Approved |
0.5676 | Remote Similarity | NPD8515 | Approved |
0.5676 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD8516 | Approved |
0.5648 | Remote Similarity | NPD6940 | Discontinued |
0.5644 | Remote Similarity | NPD8045 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD3197 | Phase 1 |
0.5638 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD8080 | Discontinued |
0.5616 | Remote Similarity | NPD885 | Approved |
0.5616 | Remote Similarity | NPD884 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD2686 | Approved |
0.561 | Remote Similarity | NPD2687 | Approved |
0.561 | Remote Similarity | NPD2254 | Approved |
PubChem CID   | 10627463 |
ChEMBL   | CHEMBL450967 |
ZINC   |
Molecular Weight:   | 604.35 |
ALogP:   | -4.2697 |
MLogP:   | 3.44 |
XLogP:   | 4.781 |
# Rotatable Bonds:   | 28 |
Polar Surface Area:   | 156.28 |
# H-Bond Aceptor:   | 12 |
# H-Bond Donor:   | 2 |
# Rings:   | 2 |
# Heavy Atoms:   | 42 |