Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT397 | Cell Line | NCI-H460 | Homo sapiens | IC50 | = | 17000 | nM | 12617583 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 20 | ug/ml | 8350085 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 20 | ug/ml | 26295746 |
NPT1034 | Cell Line | Lu1 | Homo sapiens | ED50 | = | 8.6 | ug/ml | 25815139 |
NPT1851 | Cell Line | Col2 | Homo sapiens | ED50 | = | 4.3 | ug/ml | 25974739 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 6.2 | ug/ml | 18177011 |
NPT1034 | Cell Line | Lu1 | Homo sapiens | ED50 | = | 10 | nM | 15050621 |
NPT2 | Others | Unspecified | ED50 | > | 20 | ug/ml | 13678412 | |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 7 | nM | 21080703 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | > | 128000 | nM | 18227183 |
NPT2 | Others | Unspecified | ED50 | = | 5 | nM | 19581465 | |
NPT858 | Cell Line | LNCaP | Homo sapiens | ED50 | > | 20 | ug/ml | 22409377 |
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 NPC225748 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 | NPC9763 |
1.0 | High Similarity | NPC169085 |
1.0 | High Similarity | NPC39266 |
0.9706 | High Similarity | NPC206823 |
0.9706 | High Similarity | NPC163812 |
0.9571 | High Similarity | NPC477350 |
0.9552 | High Similarity | NPC211428 |
0.9437 | High Similarity | NPC476782 |
0.9437 | High Similarity | NPC216883 |
0.9437 | High Similarity | NPC476781 |
0.9437 | High Similarity | NPC476783 |
0.9403 | High Similarity | NPC67099 |
0.9403 | High Similarity | NPC97736 |
0.9403 | High Similarity | NPC250619 |
0.9403 | High Similarity | NPC50228 |
0.9306 | High Similarity | NPC477323 |
0.9306 | High Similarity | NPC477330 |
0.9306 | High Similarity | NPC475425 |
0.9306 | High Similarity | NPC477328 |
0.9306 | High Similarity | NPC281563 |
0.9306 | High Similarity | NPC477329 |
0.9306 | High Similarity | NPC477320 |
0.9306 | High Similarity | NPC146380 |
0.9306 | High Similarity | NPC477326 |
0.9306 | High Similarity | NPC113745 |
0.9306 | High Similarity | NPC109887 |
0.9306 | High Similarity | NPC477325 |
0.9265 | High Similarity | NPC285003 |
0.9265 | High Similarity | NPC241265 |
0.9178 | High Similarity | NPC146992 |
0.9178 | High Similarity | NPC477344 |
0.9178 | High Similarity | NPC477346 |
0.9178 | High Similarity | NPC158302 |
0.9178 | High Similarity | NPC22742 |
0.9178 | High Similarity | NPC85759 |
0.9178 | High Similarity | NPC294748 |
0.913 | High Similarity | NPC53760 |
0.913 | High Similarity | NPC52268 |
0.9054 | High Similarity | NPC267592 |
0.8971 | High Similarity | NPC206601 |
0.8955 | High Similarity | NPC76881 |
0.8955 | High Similarity | NPC190418 |
0.8955 | High Similarity | NPC12040 |
0.8955 | High Similarity | NPC471761 |
0.8955 | High Similarity | NPC471760 |
0.8933 | High Similarity | NPC477319 |
0.8933 | High Similarity | NPC475270 |
0.8933 | High Similarity | NPC123204 |
0.8933 | High Similarity | NPC477331 |
0.8933 | High Similarity | NPC89843 |
0.8933 | High Similarity | NPC143421 |
0.8933 | High Similarity | NPC269318 |
0.8933 | High Similarity | NPC307400 |
0.8933 | High Similarity | NPC475667 |
0.8933 | High Similarity | NPC472204 |
0.8933 | High Similarity | NPC224953 |
0.8933 | High Similarity | NPC27289 |
0.8933 | High Similarity | NPC126685 |
0.8933 | High Similarity | NPC472201 |
0.8933 | High Similarity | NPC183888 |
0.8933 | High Similarity | NPC238056 |
0.8933 | High Similarity | NPC477318 |
0.8933 | High Similarity | NPC119583 |
0.8933 | High Similarity | NPC472205 |
0.8933 | High Similarity | NPC186992 |
0.8933 | High Similarity | NPC477347 |
0.8933 | High Similarity | NPC184915 |
0.8933 | High Similarity | NPC297768 |
0.8933 | High Similarity | NPC169345 |
0.8933 | High Similarity | NPC115013 |
0.8933 | High Similarity | NPC259294 |
0.8933 | High Similarity | NPC173328 |
0.8933 | High Similarity | NPC44782 |
0.8933 | High Similarity | NPC477317 |
0.8933 | High Similarity | NPC472202 |
0.8933 | High Similarity | NPC475327 |
0.8933 | High Similarity | NPC476087 |
0.8933 | High Similarity | NPC290012 |
0.8933 | High Similarity | NPC472200 |
0.8933 | High Similarity | NPC472203 |
0.8701 | High Similarity | NPC477332 |
0.8701 | High Similarity | NPC60849 |
0.8701 | High Similarity | NPC472352 |
0.8611 | High Similarity | NPC308096 |
0.8611 | High Similarity | NPC291228 |
0.8472 | Intermediate Similarity | NPC184550 |
0.8472 | Intermediate Similarity | NPC185419 |
0.8382 | Intermediate Similarity | NPC325773 |
0.8358 | Intermediate Similarity | NPC477753 |
0.8358 | Intermediate Similarity | NPC477757 |
0.8358 | Intermediate Similarity | NPC477750 |
0.8358 | Intermediate Similarity | NPC477762 |
0.8358 | Intermediate Similarity | NPC477763 |
0.8358 | Intermediate Similarity | NPC477755 |
0.806 | Intermediate Similarity | NPC317023 |
0.8 | Intermediate Similarity | NPC156089 |
0.8 | Intermediate Similarity | NPC38295 |
0.8 | Intermediate Similarity | NPC470313 |
0.8 | Intermediate Similarity | NPC473500 |
0.791 | Intermediate Similarity | NPC472025 |
0.7882 | Intermediate Similarity | NPC477349 |
0.7778 | Intermediate Similarity | NPC477751 |
0.7778 | Intermediate Similarity | NPC477752 |
0.7778 | Intermediate Similarity | NPC477764 |
0.7778 | Intermediate Similarity | NPC477756 |
0.7761 | Intermediate Similarity | NPC148424 |
0.775 | Intermediate Similarity | NPC21693 |
0.775 | Intermediate Similarity | NPC236649 |
0.7746 | Intermediate Similarity | NPC6848 |
0.7701 | Intermediate Similarity | NPC477348 |
0.7701 | Intermediate Similarity | NPC163409 |
0.7701 | Intermediate Similarity | NPC238264 |
0.7701 | Intermediate Similarity | NPC477345 |
0.7701 | Intermediate Similarity | NPC44682 |
0.7671 | Intermediate Similarity | NPC477761 |
0.7671 | Intermediate Similarity | NPC477759 |
0.7671 | Intermediate Similarity | NPC477758 |
0.7671 | Intermediate Similarity | NPC477760 |
0.7671 | Intermediate Similarity | NPC477754 |
0.7654 | Intermediate Similarity | NPC248415 |
0.7619 | Intermediate Similarity | NPC51662 |
0.7536 | Intermediate Similarity | NPC290179 |
0.7536 | Intermediate Similarity | NPC322855 |
0.7536 | Intermediate Similarity | NPC34877 |
0.7536 | Intermediate Similarity | NPC320032 |
0.7528 | Intermediate Similarity | NPC475241 |
0.7528 | Intermediate Similarity | NPC475540 |
0.7528 | Intermediate Similarity | NPC475525 |
0.7528 | Intermediate Similarity | NPC473765 |
0.7528 | Intermediate Similarity | NPC473605 |
0.7528 | Intermediate Similarity | NPC475375 |
0.7528 | Intermediate Similarity | NPC475164 |
0.7528 | Intermediate Similarity | NPC476066 |
0.7528 | Intermediate Similarity | NPC475593 |
0.7468 | Intermediate Similarity | NPC110813 |
0.7463 | Intermediate Similarity | NPC303727 |
0.7432 | Intermediate Similarity | NPC32148 |
0.7381 | Intermediate Similarity | NPC83839 |
0.7375 | Intermediate Similarity | NPC133377 |
0.7361 | Intermediate Similarity | NPC268243 |
0.7313 | Intermediate Similarity | NPC107914 |
0.7313 | Intermediate Similarity | NPC67660 |
0.7313 | Intermediate Similarity | NPC165198 |
0.7313 | Intermediate Similarity | NPC242073 |
0.7313 | Intermediate Similarity | NPC246558 |
0.7313 | Intermediate Similarity | NPC157514 |
0.7313 | Intermediate Similarity | NPC89145 |
0.7313 | Intermediate Similarity | NPC58629 |
0.7313 | Intermediate Similarity | NPC269166 |
0.7313 | Intermediate Similarity | NPC145112 |
0.7294 | Intermediate Similarity | NPC470657 |
0.7262 | Intermediate Similarity | NPC288471 |
0.7209 | Intermediate Similarity | NPC31349 |
0.7209 | Intermediate Similarity | NPC314364 |
0.7206 | Intermediate Similarity | NPC53463 |
0.7206 | Intermediate Similarity | NPC469937 |
0.7206 | Intermediate Similarity | NPC23155 |
0.7206 | Intermediate Similarity | NPC320588 |
0.7083 | Intermediate Similarity | NPC472026 |
0.7059 | Intermediate Similarity | NPC125253 |
0.7059 | Intermediate Similarity | NPC253975 |
0.7059 | Intermediate Similarity | NPC192025 |
0.7037 | Intermediate Similarity | NPC474003 |
0.7021 | Intermediate Similarity | NPC188453 |
0.7021 | Intermediate Similarity | NPC42320 |
0.7015 | Intermediate Similarity | NPC23134 |
0.7015 | Intermediate Similarity | NPC124963 |
0.7015 | Intermediate Similarity | NPC326533 |
0.7015 | Intermediate Similarity | NPC233726 |
0.7 | Intermediate Similarity | NPC320089 |
0.6979 | Remote Similarity | NPC469827 |
0.6962 | Remote Similarity | NPC55652 |
0.6957 | Remote Similarity | NPC143446 |
0.6932 | Remote Similarity | NPC470009 |
0.6923 | Remote Similarity | NPC321873 |
0.6889 | Remote Similarity | NPC472197 |
0.6854 | Remote Similarity | NPC285588 |
0.6848 | Remote Similarity | NPC215570 |
0.6842 | Remote Similarity | NPC476611 |
0.6837 | Remote Similarity | NPC126753 |
0.6837 | Remote Similarity | NPC287269 |
0.6829 | Remote Similarity | NPC244002 |
0.6812 | Remote Similarity | NPC323361 |
0.6812 | Remote Similarity | NPC130683 |
0.6786 | Remote Similarity | NPC163362 |
0.6786 | Remote Similarity | NPC127295 |
0.6771 | Remote Similarity | NPC310031 |
0.6771 | Remote Similarity | NPC80191 |
0.6768 | Remote Similarity | NPC469826 |
0.6768 | Remote Similarity | NPC207693 |
0.6744 | Remote Similarity | NPC474266 |
0.6739 | Remote Similarity | NPC472198 |
0.6716 | Remote Similarity | NPC299781 |
0.6716 | Remote Similarity | NPC157193 |
0.6716 | Remote Similarity | NPC42503 |
0.6716 | Remote Similarity | NPC282143 |
0.6712 | Remote Similarity | NPC470363 |
0.6711 | Remote Similarity | NPC147292 |
0.6709 | Remote Similarity | NPC474078 |
0.6703 | Remote Similarity | NPC472199 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC225748 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 |
---|---|---|---|
0.8182 | Intermediate Similarity | NPD7329 | Approved |
0.7826 | Intermediate Similarity | NPD6123 | Approved |
0.7632 | Intermediate Similarity | NPD3181 | Approved |
0.7463 | Intermediate Similarity | NPD7346 | Approved |
0.7432 | Intermediate Similarity | NPD897 | Approved |
0.7432 | Intermediate Similarity | NPD898 | Approved |
0.7432 | Intermediate Similarity | NPD896 | Approved |
0.7313 | Intermediate Similarity | NPD892 | Phase 3 |
0.7313 | Intermediate Similarity | NPD888 | Phase 3 |
0.7313 | Intermediate Similarity | NPD891 | Phase 3 |
0.7313 | Intermediate Similarity | NPD893 | Approved |
0.7313 | Intermediate Similarity | NPD890 | Clinical (unspecified phase) |
0.7206 | Intermediate Similarity | NPD3728 | Approved |
0.7206 | Intermediate Similarity | NPD3730 | Approved |
0.7164 | Intermediate Similarity | NPD2269 | Approved |
0.7015 | Intermediate Similarity | NPD904 | Phase 3 |
0.7015 | Intermediate Similarity | NPD905 | Approved |
0.6812 | Remote Similarity | NPD894 | Approved |
0.6812 | Remote Similarity | NPD889 | Approved |
0.6812 | Remote Similarity | NPD895 | Approved |
0.6812 | Remote Similarity | NPD887 | Approved |
0.6761 | Remote Similarity | NPD2267 | Suspended |
0.6667 | Remote Similarity | NPD8961 | Approved |
0.6598 | Remote Similarity | NPD8139 | Approved |
0.6598 | Remote Similarity | NPD8084 | Approved |
0.6598 | Remote Similarity | NPD8085 | Approved |
0.6598 | Remote Similarity | NPD8086 | Approved |
0.6598 | Remote Similarity | NPD8138 | Approved |
0.6598 | Remote Similarity | NPD8082 | Approved |
0.6598 | Remote Similarity | NPD8083 | Approved |
0.6566 | Remote Similarity | NPD8393 | Approved |
0.6552 | Remote Similarity | NPD3669 | Approved |
0.6552 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6531 | Remote Similarity | NPD8275 | Approved |
0.6531 | Remote Similarity | NPD8276 | Approved |
0.65 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6465 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6465 | Remote Similarity | NPD8081 | Approved |
0.6442 | Remote Similarity | NPD8133 | Approved |
0.6438 | Remote Similarity | NPD369 | Approved |
0.6429 | Remote Similarity | NPD7141 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD7140 | Approved |
0.6429 | Remote Similarity | NPD7139 | Approved |
0.6364 | Remote Similarity | NPD7909 | Approved |
0.6337 | Remote Similarity | NPD8307 | Discontinued |
0.6337 | Remote Similarity | NPD8140 | Approved |
0.6324 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.6269 | Remote Similarity | NPD9000 | Phase 3 |
0.6269 | Remote Similarity | NPD8998 | Phase 2 |
0.6269 | Remote Similarity | NPD8993 | Phase 1 |
0.6269 | Remote Similarity | NPD8997 | Approved |
0.6269 | Remote Similarity | NPD8999 | Phase 3 |
0.6216 | Remote Similarity | NPD8959 | Approved |
0.6214 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6214 | Remote Similarity | NPD8305 | Approved |
0.6214 | Remote Similarity | NPD8306 | Approved |
0.6214 | Remote Similarity | NPD6941 | Approved |
0.6154 | Remote Similarity | NPD8087 | Discontinued |
0.6136 | Remote Similarity | NPD1780 | Approved |
0.6136 | Remote Similarity | NPD1779 | Approved |
0.6117 | Remote Similarity | NPD6686 | Approved |
0.6105 | Remote Similarity | NPD1447 | Phase 3 |
0.6105 | Remote Similarity | NPD8171 | Discontinued |
0.6105 | Remote Similarity | NPD1446 | Phase 3 |
0.6095 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD8965 | Approved |
0.6087 | Remote Similarity | NPD8966 | Approved |
0.6082 | Remote Similarity | NPD6428 | Approved |
0.6026 | Remote Similarity | NPD847 | Phase 1 |
0.5963 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.596 | Remote Similarity | NPD2255 | Approved |
0.5946 | Remote Similarity | NPD8347 | Approved |
0.5946 | Remote Similarity | NPD8345 | Approved |
0.5946 | Remote Similarity | NPD8346 | Approved |
0.5895 | Remote Similarity | NPD6698 | Approved |
0.5895 | Remote Similarity | NPD46 | Approved |
0.5893 | Remote Similarity | NPD8515 | Approved |
0.5893 | Remote Similarity | NPD8513 | Phase 3 |
0.5893 | Remote Similarity | NPD8516 | Approved |
0.5893 | Remote Similarity | NPD8517 | Approved |
0.589 | Remote Similarity | NPD9036 | Phase 3 |
0.589 | Remote Similarity | NPD9035 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD1810 | Approved |
0.5882 | Remote Similarity | NPD1811 | Approved |
0.5882 | Remote Similarity | NPD2699 | Approved |
0.5867 | Remote Similarity | NPD73 | Approved |
0.5859 | Remote Similarity | NPD881 | Approved |
0.5851 | Remote Similarity | NPD618 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD1399 | Approved |
0.5833 | Remote Similarity | NPD1400 | Approved |
0.5821 | Remote Similarity | NPD8788 | Approved |
0.5818 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5811 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD3716 | Discontinued |
0.5789 | Remote Similarity | NPD8328 | Phase 3 |
0.5784 | Remote Similarity | NPD8300 | Approved |
0.5784 | Remote Similarity | NPD8301 | Approved |
0.5728 | Remote Similarity | NPD8045 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD6412 | Phase 2 |
0.567 | Remote Similarity | NPD7983 | Approved |
0.5632 | Remote Similarity | NPD376 | Approved |
0.5632 | Remote Similarity | NPD11 | Approved |
0.5618 | Remote Similarity | NPD4238 | Approved |
0.5618 | Remote Similarity | NPD4802 | Phase 2 |
0.5614 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
PubChem CID   | 10102009 |
ChEMBL   | CHEMBL452206 |
ZINC   |
Molecular Weight:   | 834.42 |
ALogP:   | -4.7584 |
MLogP:   | 3.88 |
XLogP:   | 4.998 |
# Rotatable Bonds:   | 37 |
Polar Surface Area:   | 227.34 |
# H-Bond Aceptor:   | 18 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 58 |