Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT83 | Cell Line | MCF7 | Homo sapiens | FC | > | 1906.3 | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | FC | > | 1593 | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | < | 0.00064 | ug/ml | PubChem BioAssay data set |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | < | 0.00064 | ug/ml | 19666224 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | < | 0.00064 | ug/ml | DrugMatrix in vivo data: Hematology |
NPT83 | Cell Line | MCF7 | Homo sapiens | FC | = | 73.4 | 24613627 |
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 NPC472352 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 | NPC60849 |
1.0 | High Similarity | NPC477332 |
0.974 | High Similarity | NPC477317 |
0.974 | High Similarity | NPC44782 |
0.974 | High Similarity | NPC119583 |
0.974 | High Similarity | NPC472205 |
0.974 | High Similarity | NPC224953 |
0.974 | High Similarity | NPC477347 |
0.974 | High Similarity | NPC475270 |
0.974 | High Similarity | NPC472203 |
0.974 | High Similarity | NPC477319 |
0.974 | High Similarity | NPC143421 |
0.974 | High Similarity | NPC238056 |
0.974 | High Similarity | NPC475327 |
0.974 | High Similarity | NPC173328 |
0.974 | High Similarity | NPC472202 |
0.974 | High Similarity | NPC475667 |
0.974 | High Similarity | NPC27289 |
0.974 | High Similarity | NPC297768 |
0.974 | High Similarity | NPC307400 |
0.974 | High Similarity | NPC169345 |
0.974 | High Similarity | NPC115013 |
0.974 | High Similarity | NPC184915 |
0.974 | High Similarity | NPC259294 |
0.974 | High Similarity | NPC472200 |
0.974 | High Similarity | NPC477331 |
0.974 | High Similarity | NPC472204 |
0.974 | High Similarity | NPC290012 |
0.974 | High Similarity | NPC476087 |
0.974 | High Similarity | NPC123204 |
0.974 | High Similarity | NPC477318 |
0.974 | High Similarity | NPC186992 |
0.974 | High Similarity | NPC89843 |
0.974 | High Similarity | NPC472201 |
0.974 | High Similarity | NPC183888 |
0.974 | High Similarity | NPC126685 |
0.974 | High Similarity | NPC269318 |
0.961 | High Similarity | NPC267592 |
0.9481 | High Similarity | NPC85759 |
0.9481 | High Similarity | NPC477346 |
0.9481 | High Similarity | NPC294748 |
0.9481 | High Similarity | NPC146992 |
0.9481 | High Similarity | NPC158302 |
0.9481 | High Similarity | NPC22742 |
0.9481 | High Similarity | NPC477344 |
0.9351 | High Similarity | NPC477329 |
0.9351 | High Similarity | NPC113745 |
0.9351 | High Similarity | NPC281563 |
0.9351 | High Similarity | NPC477325 |
0.9351 | High Similarity | NPC477326 |
0.9351 | High Similarity | NPC109887 |
0.9351 | High Similarity | NPC477328 |
0.9351 | High Similarity | NPC475425 |
0.9351 | High Similarity | NPC477323 |
0.9351 | High Similarity | NPC477320 |
0.9351 | High Similarity | NPC477330 |
0.9351 | High Similarity | NPC146380 |
0.9091 | High Similarity | NPC477350 |
0.8974 | High Similarity | NPC216883 |
0.8974 | High Similarity | NPC476783 |
0.8974 | High Similarity | NPC476781 |
0.8974 | High Similarity | NPC476782 |
0.8701 | High Similarity | NPC225748 |
0.8701 | High Similarity | NPC163812 |
0.8701 | High Similarity | NPC9763 |
0.8701 | High Similarity | NPC39266 |
0.8701 | High Similarity | NPC169085 |
0.8701 | High Similarity | NPC206823 |
0.8442 | Intermediate Similarity | NPC52268 |
0.8442 | Intermediate Similarity | NPC53760 |
0.8312 | Intermediate Similarity | NPC211428 |
0.8312 | Intermediate Similarity | NPC285003 |
0.8312 | Intermediate Similarity | NPC241265 |
0.8242 | Intermediate Similarity | NPC475525 |
0.8242 | Intermediate Similarity | NPC475241 |
0.8242 | Intermediate Similarity | NPC476066 |
0.8242 | Intermediate Similarity | NPC473605 |
0.8242 | Intermediate Similarity | NPC475164 |
0.8242 | Intermediate Similarity | NPC473765 |
0.8242 | Intermediate Similarity | NPC475540 |
0.8242 | Intermediate Similarity | NPC475593 |
0.8242 | Intermediate Similarity | NPC475375 |
0.8228 | Intermediate Similarity | NPC291228 |
0.8228 | Intermediate Similarity | NPC308096 |
0.8214 | Intermediate Similarity | NPC248415 |
0.8182 | Intermediate Similarity | NPC250619 |
0.8182 | Intermediate Similarity | NPC67099 |
0.8182 | Intermediate Similarity | NPC97736 |
0.8182 | Intermediate Similarity | NPC50228 |
0.8101 | Intermediate Similarity | NPC185419 |
0.8101 | Intermediate Similarity | NPC184550 |
0.8052 | Intermediate Similarity | NPC206601 |
0.8022 | Intermediate Similarity | NPC44682 |
0.8022 | Intermediate Similarity | NPC477348 |
0.8022 | Intermediate Similarity | NPC163409 |
0.8022 | Intermediate Similarity | NPC238264 |
0.8022 | Intermediate Similarity | NPC477345 |
0.7955 | Intermediate Similarity | NPC51662 |
0.7802 | Intermediate Similarity | NPC477349 |
0.7792 | Intermediate Similarity | NPC471760 |
0.7792 | Intermediate Similarity | NPC76881 |
0.7792 | Intermediate Similarity | NPC190418 |
0.7792 | Intermediate Similarity | NPC12040 |
0.7792 | Intermediate Similarity | NPC471761 |
0.77 | Intermediate Similarity | NPC22709 |
0.7662 | Intermediate Similarity | NPC6848 |
0.7653 | Intermediate Similarity | NPC469827 |
0.7653 | Intermediate Similarity | NPC470519 |
0.7653 | Intermediate Similarity | NPC231271 |
0.76 | Intermediate Similarity | NPC207693 |
0.7556 | Intermediate Similarity | NPC314364 |
0.7532 | Intermediate Similarity | NPC325773 |
0.75 | Intermediate Similarity | NPC471430 |
0.7468 | Intermediate Similarity | NPC477752 |
0.7468 | Intermediate Similarity | NPC477756 |
0.7468 | Intermediate Similarity | NPC477751 |
0.7468 | Intermediate Similarity | NPC477764 |
0.7451 | Intermediate Similarity | NPC470622 |
0.7426 | Intermediate Similarity | NPC469826 |
0.7412 | Intermediate Similarity | NPC474003 |
0.74 | Intermediate Similarity | NPC273189 |
0.74 | Intermediate Similarity | NPC184805 |
0.7375 | Intermediate Similarity | NPC477754 |
0.7375 | Intermediate Similarity | NPC477761 |
0.7375 | Intermediate Similarity | NPC477759 |
0.7375 | Intermediate Similarity | NPC477758 |
0.7375 | Intermediate Similarity | NPC477760 |
0.7353 | Intermediate Similarity | NPC469825 |
0.7327 | Intermediate Similarity | NPC126753 |
0.7308 | Intermediate Similarity | NPC157571 |
0.7303 | Intermediate Similarity | NPC470313 |
0.7303 | Intermediate Similarity | NPC473500 |
0.7303 | Intermediate Similarity | NPC38295 |
0.7303 | Intermediate Similarity | NPC156089 |
0.73 | Intermediate Similarity | NPC267637 |
0.7282 | Intermediate Similarity | NPC471431 |
0.7273 | Intermediate Similarity | NPC477757 |
0.7273 | Intermediate Similarity | NPC477763 |
0.7273 | Intermediate Similarity | NPC477755 |
0.7273 | Intermediate Similarity | NPC477762 |
0.7273 | Intermediate Similarity | NPC477753 |
0.7273 | Intermediate Similarity | NPC477750 |
0.7253 | Intermediate Similarity | NPC470657 |
0.7212 | Intermediate Similarity | NPC469824 |
0.7196 | Intermediate Similarity | NPC33012 |
0.7196 | Intermediate Similarity | NPC473452 |
0.7196 | Intermediate Similarity | NPC123522 |
0.7196 | Intermediate Similarity | NPC8524 |
0.7196 | Intermediate Similarity | NPC475514 |
0.7196 | Intermediate Similarity | NPC475209 |
0.7196 | Intermediate Similarity | NPC471580 |
0.7196 | Intermediate Similarity | NPC85154 |
0.7196 | Intermediate Similarity | NPC104137 |
0.7196 | Intermediate Similarity | NPC286457 |
0.7196 | Intermediate Similarity | NPC220160 |
0.7196 | Intermediate Similarity | NPC102505 |
0.7196 | Intermediate Similarity | NPC69811 |
0.7196 | Intermediate Similarity | NPC309223 |
0.7196 | Intermediate Similarity | NPC191827 |
0.7196 | Intermediate Similarity | NPC470876 |
0.7174 | Intermediate Similarity | NPC31349 |
0.717 | Intermediate Similarity | NPC477465 |
0.7157 | Intermediate Similarity | NPC287269 |
0.7143 | Intermediate Similarity | NPC312498 |
0.7143 | Intermediate Similarity | NPC473849 |
0.713 | Intermediate Similarity | NPC237191 |
0.7115 | Intermediate Similarity | NPC66513 |
0.7103 | Intermediate Similarity | NPC51465 |
0.7103 | Intermediate Similarity | NPC305267 |
0.7103 | Intermediate Similarity | NPC288205 |
0.7103 | Intermediate Similarity | NPC75287 |
0.7103 | Intermediate Similarity | NPC476992 |
0.7103 | Intermediate Similarity | NPC26626 |
0.71 | Intermediate Similarity | NPC80640 |
0.71 | Intermediate Similarity | NPC80191 |
0.71 | Intermediate Similarity | NPC310031 |
0.7087 | Intermediate Similarity | NPC473688 |
0.7087 | Intermediate Similarity | NPC231566 |
0.7087 | Intermediate Similarity | NPC262567 |
0.7087 | Intermediate Similarity | NPC471626 |
0.7079 | Intermediate Similarity | NPC236649 |
0.7079 | Intermediate Similarity | NPC21693 |
0.7075 | Intermediate Similarity | NPC146563 |
0.7071 | Intermediate Similarity | NPC471428 |
0.7071 | Intermediate Similarity | NPC471427 |
0.7071 | Intermediate Similarity | NPC471426 |
0.7064 | Intermediate Similarity | NPC471577 |
0.7064 | Intermediate Similarity | NPC473386 |
0.7037 | Intermediate Similarity | NPC473824 |
0.7037 | Intermediate Similarity | NPC475119 |
0.7019 | Intermediate Similarity | NPC228190 |
0.7019 | Intermediate Similarity | NPC92297 |
0.7019 | Intermediate Similarity | NPC94086 |
0.7019 | Intermediate Similarity | NPC273002 |
0.7019 | Intermediate Similarity | NPC87393 |
0.7019 | Intermediate Similarity | NPC473817 |
0.7019 | Intermediate Similarity | NPC233433 |
0.7019 | Intermediate Similarity | NPC236753 |
0.7019 | Intermediate Similarity | NPC220836 |
0.7013 | Intermediate Similarity | NPC317023 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC472352 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 |
---|---|---|---|
0.8072 | Intermediate Similarity | NPD7329 | Approved |
0.7273 | Intermediate Similarity | NPD6123 | Approved |
0.7143 | Intermediate Similarity | NPD3181 | Approved |
0.6951 | Remote Similarity | NPD897 | Approved |
0.6951 | Remote Similarity | NPD898 | Approved |
0.6951 | Remote Similarity | NPD896 | Approved |
0.6931 | Remote Similarity | NPD8138 | Approved |
0.6931 | Remote Similarity | NPD8084 | Approved |
0.6931 | Remote Similarity | NPD8083 | Approved |
0.6931 | Remote Similarity | NPD8139 | Approved |
0.6931 | Remote Similarity | NPD8085 | Approved |
0.6931 | Remote Similarity | NPD8082 | Approved |
0.6931 | Remote Similarity | NPD8086 | Approved |
0.6893 | Remote Similarity | NPD8393 | Approved |
0.6863 | Remote Similarity | NPD8275 | Approved |
0.6863 | Remote Similarity | NPD8276 | Approved |
0.6796 | Remote Similarity | NPD8081 | Approved |
0.6796 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6759 | Remote Similarity | NPD8133 | Approved |
0.6729 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8307 | Discontinued |
0.6667 | Remote Similarity | NPD8140 | Approved |
0.6637 | Remote Similarity | NPD8516 | Approved |
0.6637 | Remote Similarity | NPD8517 | Approved |
0.6637 | Remote Similarity | NPD8515 | Approved |
0.6577 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.6542 | Remote Similarity | NPD8305 | Approved |
0.6542 | Remote Similarity | NPD8306 | Approved |
0.6542 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6494 | Remote Similarity | NPD3728 | Approved |
0.6494 | Remote Similarity | NPD3730 | Approved |
0.6494 | Remote Similarity | NPD7346 | Approved |
0.6491 | Remote Similarity | NPD8513 | Phase 3 |
0.6481 | Remote Similarity | NPD8087 | Discontinued |
0.6442 | Remote Similarity | NPD7140 | Approved |
0.6442 | Remote Similarity | NPD7139 | Approved |
0.6442 | Remote Similarity | NPD7141 | Clinical (unspecified phase) |
0.6386 | Remote Similarity | NPD7909 | Approved |
0.6383 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6383 | Remote Similarity | NPD3669 | Approved |
0.6379 | Remote Similarity | NPD8328 | Phase 3 |
0.6364 | Remote Similarity | NPD891 | Phase 3 |
0.6364 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD893 | Approved |
0.6364 | Remote Similarity | NPD888 | Phase 3 |
0.6364 | Remote Similarity | NPD892 | Phase 3 |
0.6322 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.63 | Remote Similarity | NPD8171 | Discontinued |
0.6265 | Remote Similarity | NPD8961 | Approved |
0.6261 | Remote Similarity | NPD8346 | Approved |
0.6261 | Remote Similarity | NPD8347 | Approved |
0.6261 | Remote Similarity | NPD8345 | Approved |
0.6234 | Remote Similarity | NPD2269 | Approved |
0.617 | Remote Similarity | NPD1780 | Approved |
0.617 | Remote Similarity | NPD1779 | Approved |
0.6147 | Remote Similarity | NPD6686 | Approved |
0.614 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.6132 | Remote Similarity | NPD8300 | Approved |
0.6132 | Remote Similarity | NPD8301 | Approved |
0.6104 | Remote Similarity | NPD904 | Phase 3 |
0.6104 | Remote Similarity | NPD905 | Approved |
0.6091 | Remote Similarity | NPD6941 | Approved |
0.604 | Remote Similarity | NPD7983 | Approved |
0.6022 | Remote Similarity | NPD4238 | Approved |
0.6022 | Remote Similarity | NPD4802 | Phase 2 |
0.5949 | Remote Similarity | NPD889 | Approved |
0.5949 | Remote Similarity | NPD895 | Approved |
0.5949 | Remote Similarity | NPD894 | Approved |
0.5949 | Remote Similarity | NPD887 | Approved |
0.5941 | Remote Similarity | NPD6698 | Approved |
0.5941 | Remote Similarity | NPD46 | Approved |
0.5932 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD2267 | Suspended |
0.5909 | Remote Similarity | NPD6412 | Phase 2 |
0.5882 | Remote Similarity | NPD8080 | Discontinued |
0.5872 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5872 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD8959 | Approved |
0.5833 | Remote Similarity | NPD7829 | Approved |
0.5833 | Remote Similarity | NPD7830 | Approved |
0.5825 | Remote Similarity | NPD1446 | Phase 3 |
0.5825 | Remote Similarity | NPD1447 | Phase 3 |
0.582 | Remote Similarity | NPD8448 | Approved |
0.5806 | Remote Similarity | NPD8390 | Approved |
0.5806 | Remote Similarity | NPD8392 | Approved |
0.5806 | Remote Similarity | NPD8391 | Approved |
0.5798 | Remote Similarity | NPD8444 | Approved |
0.5785 | Remote Similarity | NPD8341 | Approved |
0.5785 | Remote Similarity | NPD8340 | Approved |
0.5785 | Remote Similarity | NPD8299 | Approved |
0.5785 | Remote Similarity | NPD8342 | Approved |
0.5776 | Remote Similarity | NPD6940 | Discontinued |
0.5761 | Remote Similarity | NPD1810 | Approved |
0.5761 | Remote Similarity | NPD1811 | Approved |
0.5738 | Remote Similarity | NPD8451 | Approved |
0.5732 | Remote Similarity | NPD73 | Approved |
0.5714 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.5701 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5701 | Remote Similarity | NPD2255 | Approved |
0.5679 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5663 | Remote Similarity | NPD369 | Approved |
0.566 | Remote Similarity | NPD7839 | Suspended |
0.5607 | Remote Similarity | NPD881 | Approved |
0.56 | Remote Similarity | NPD7319 | Approved |
PubChem CID   | |
ChEMBL   | CHEMBL3360736 |
ZINC   |
Molecular Weight:   | 1688.88 |
ALogP:   | -13.7894 |
MLogP:   | 6.19 |
XLogP:   | 5.319 |
# Rotatable Bonds:   | 61 |
Polar Surface Area:   | 523.71 |
# H-Bond Aceptor:   | 37 |
# H-Bond Donor:   | 13 |
# Rings:   | 8 |
# Heavy Atoms:   | 117 |