Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruits |
PMID[23305920] |
||
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | TM-MC* | |||
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | > | 100000 | nM | 23305920 |
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 NPC285588 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 |
---|---|---|
0.9765 | High Similarity | NPC110072 |
0.9524 | High Similarity | NPC118077 |
0.9524 | High Similarity | NPC475186 |
0.8706 | High Similarity | NPC251026 |
0.869 | High Similarity | NPC127295 |
0.869 | High Similarity | NPC163362 |
0.8681 | High Similarity | NPC294293 |
0.8605 | High Similarity | NPC142111 |
0.8605 | High Similarity | NPC473315 |
0.8539 | High Similarity | NPC470137 |
0.8526 | High Similarity | NPC2313 |
0.8526 | High Similarity | NPC57586 |
0.8526 | High Similarity | NPC471637 |
0.8526 | High Similarity | NPC475157 |
0.8526 | High Similarity | NPC154132 |
0.8526 | High Similarity | NPC475655 |
0.8506 | High Similarity | NPC473308 |
0.8409 | Intermediate Similarity | NPC470124 |
0.8372 | Intermediate Similarity | NPC469469 |
0.8351 | Intermediate Similarity | NPC197736 |
0.8315 | Intermediate Similarity | NPC208473 |
0.8295 | Intermediate Similarity | NPC475035 |
0.8295 | Intermediate Similarity | NPC266718 |
0.8261 | Intermediate Similarity | NPC477349 |
0.8222 | Intermediate Similarity | NPC475037 |
0.8191 | Intermediate Similarity | NPC469543 |
0.8182 | Intermediate Similarity | NPC315070 |
0.8172 | Intermediate Similarity | NPC320552 |
0.8152 | Intermediate Similarity | NPC473311 |
0.8152 | Intermediate Similarity | NPC327253 |
0.8085 | Intermediate Similarity | NPC477348 |
0.8085 | Intermediate Similarity | NPC159698 |
0.8085 | Intermediate Similarity | NPC163409 |
0.8085 | Intermediate Similarity | NPC238264 |
0.8085 | Intermediate Similarity | NPC477345 |
0.8085 | Intermediate Similarity | NPC44682 |
0.8022 | Intermediate Similarity | NPC125142 |
0.8 | Intermediate Similarity | NPC475034 |
0.8 | Intermediate Similarity | NPC170204 |
0.7979 | Intermediate Similarity | NPC238090 |
0.7979 | Intermediate Similarity | NPC472196 |
0.7979 | Intermediate Similarity | NPC472195 |
0.7917 | Intermediate Similarity | NPC475164 |
0.7917 | Intermediate Similarity | NPC475375 |
0.7917 | Intermediate Similarity | NPC476066 |
0.7917 | Intermediate Similarity | NPC475525 |
0.7917 | Intermediate Similarity | NPC475593 |
0.7917 | Intermediate Similarity | NPC473605 |
0.7917 | Intermediate Similarity | NPC475540 |
0.7917 | Intermediate Similarity | NPC473765 |
0.7917 | Intermediate Similarity | NPC475241 |
0.7872 | Intermediate Similarity | NPC477749 |
0.7843 | Intermediate Similarity | NPC193765 |
0.7835 | Intermediate Similarity | NPC475332 |
0.7816 | Intermediate Similarity | NPC477314 |
0.7791 | Intermediate Similarity | NPC326661 |
0.7766 | Intermediate Similarity | NPC118078 |
0.7766 | Intermediate Similarity | NPC6414 |
0.7766 | Intermediate Similarity | NPC303451 |
0.7701 | Intermediate Similarity | NPC110813 |
0.7684 | Intermediate Similarity | NPC476084 |
0.7684 | Intermediate Similarity | NPC476075 |
0.766 | Intermediate Similarity | NPC477748 |
0.7614 | Intermediate Similarity | NPC133377 |
0.7604 | Intermediate Similarity | NPC320089 |
0.7604 | Intermediate Similarity | NPC159092 |
0.7604 | Intermediate Similarity | NPC61201 |
0.7596 | Intermediate Similarity | NPC133625 |
0.7582 | Intermediate Similarity | NPC470313 |
0.7582 | Intermediate Similarity | NPC156089 |
0.7582 | Intermediate Similarity | NPC473500 |
0.7582 | Intermediate Similarity | NPC38295 |
0.7579 | Intermediate Similarity | NPC202886 |
0.7576 | Intermediate Similarity | NPC40182 |
0.7576 | Intermediate Similarity | NPC198422 |
0.7558 | Intermediate Similarity | NPC472173 |
0.7551 | Intermediate Similarity | NPC255410 |
0.7525 | Intermediate Similarity | NPC201191 |
0.7525 | Intermediate Similarity | NPC222062 |
0.75 | Intermediate Similarity | NPC114172 |
0.75 | Intermediate Similarity | NPC472124 |
0.75 | Intermediate Similarity | NPC206679 |
0.75 | Intermediate Similarity | NPC471324 |
0.75 | Intermediate Similarity | NPC472126 |
0.75 | Intermediate Similarity | NPC472125 |
0.75 | Intermediate Similarity | NPC469410 |
0.75 | Intermediate Similarity | NPC288471 |
0.7476 | Intermediate Similarity | NPC476738 |
0.7476 | Intermediate Similarity | NPC476740 |
0.7476 | Intermediate Similarity | NPC82251 |
0.7475 | Intermediate Similarity | NPC120299 |
0.7451 | Intermediate Similarity | NPC197541 |
0.7451 | Intermediate Similarity | NPC284929 |
0.7451 | Intermediate Similarity | NPC118761 |
0.7451 | Intermediate Similarity | NPC267869 |
0.7451 | Intermediate Similarity | NPC475367 |
0.7451 | Intermediate Similarity | NPC309398 |
0.7451 | Intermediate Similarity | NPC473816 |
0.7451 | Intermediate Similarity | NPC234304 |
0.7451 | Intermediate Similarity | NPC474581 |
0.7449 | Intermediate Similarity | NPC300710 |
0.7447 | Intermediate Similarity | NPC313658 |
0.7447 | Intermediate Similarity | NPC316138 |
0.7444 | Intermediate Similarity | NPC133226 |
0.7444 | Intermediate Similarity | NPC470147 |
0.7423 | Intermediate Similarity | NPC109406 |
0.7412 | Intermediate Similarity | NPC474078 |
0.74 | Intermediate Similarity | NPC475653 |
0.74 | Intermediate Similarity | NPC203627 |
0.7396 | Intermediate Similarity | NPC307699 |
0.7386 | Intermediate Similarity | NPC229655 |
0.7374 | Intermediate Similarity | NPC143446 |
0.7374 | Intermediate Similarity | NPC288350 |
0.7374 | Intermediate Similarity | NPC173329 |
0.7363 | Intermediate Similarity | NPC236649 |
0.7363 | Intermediate Similarity | NPC21693 |
0.7356 | Intermediate Similarity | NPC477305 |
0.7356 | Intermediate Similarity | NPC477309 |
0.7356 | Intermediate Similarity | NPC477308 |
0.7356 | Intermediate Similarity | NPC477313 |
0.7356 | Intermediate Similarity | NPC477316 |
0.7356 | Intermediate Similarity | NPC477312 |
0.7356 | Intermediate Similarity | NPC477304 |
0.7356 | Intermediate Similarity | NPC477315 |
0.7347 | Intermediate Similarity | NPC256368 |
0.7333 | Intermediate Similarity | NPC180725 |
0.7333 | Intermediate Similarity | NPC470148 |
0.7333 | Intermediate Similarity | NPC473807 |
0.7333 | Intermediate Similarity | NPC470149 |
0.7303 | Intermediate Similarity | NPC475711 |
0.7303 | Intermediate Similarity | NPC474026 |
0.7273 | Intermediate Similarity | NPC477306 |
0.7263 | Intermediate Similarity | NPC199382 |
0.7255 | Intermediate Similarity | NPC476611 |
0.7255 | Intermediate Similarity | NPC198992 |
0.7241 | Intermediate Similarity | NPC55652 |
0.7241 | Intermediate Similarity | NPC477303 |
0.7241 | Intermediate Similarity | NPC477311 |
0.7241 | Intermediate Similarity | NPC132938 |
0.7222 | Intermediate Similarity | NPC248775 |
0.7222 | Intermediate Similarity | NPC470825 |
0.7216 | Intermediate Similarity | NPC231710 |
0.7216 | Intermediate Similarity | NPC216826 |
0.7216 | Intermediate Similarity | NPC270908 |
0.7216 | Intermediate Similarity | NPC117596 |
0.7216 | Intermediate Similarity | NPC470573 |
0.7216 | Intermediate Similarity | NPC65665 |
0.7216 | Intermediate Similarity | NPC120021 |
0.7209 | Intermediate Similarity | NPC476012 |
0.7207 | Intermediate Similarity | NPC470515 |
0.72 | Intermediate Similarity | NPC306041 |
0.7188 | Intermediate Similarity | NPC248312 |
0.7184 | Intermediate Similarity | NPC195510 |
0.7184 | Intermediate Similarity | NPC13171 |
0.7184 | Intermediate Similarity | NPC473596 |
0.7174 | Intermediate Similarity | NPC280367 |
0.7172 | Intermediate Similarity | NPC472198 |
0.7172 | Intermediate Similarity | NPC2003 |
0.7172 | Intermediate Similarity | NPC25701 |
0.717 | Intermediate Similarity | NPC219900 |
0.717 | Intermediate Similarity | NPC392 |
0.717 | Intermediate Similarity | NPC177524 |
0.7159 | Intermediate Similarity | NPC107654 |
0.7159 | Intermediate Similarity | NPC472174 |
0.7158 | Intermediate Similarity | NPC47937 |
0.7157 | Intermediate Similarity | NPC22149 |
0.7157 | Intermediate Similarity | NPC255677 |
0.7157 | Intermediate Similarity | NPC306344 |
0.7156 | Intermediate Similarity | NPC473159 |
0.7143 | Intermediate Similarity | NPC470911 |
0.7143 | Intermediate Similarity | NPC470915 |
0.7143 | Intermediate Similarity | NPC9447 |
0.7143 | Intermediate Similarity | NPC472199 |
0.7143 | Intermediate Similarity | NPC239961 |
0.7143 | Intermediate Similarity | NPC1180 |
0.7143 | Intermediate Similarity | NPC472197 |
0.7143 | Intermediate Similarity | NPC470517 |
0.71 | Intermediate Similarity | NPC101051 |
0.7094 | Intermediate Similarity | NPC162925 |
0.7094 | Intermediate Similarity | NPC87153 |
0.7087 | Intermediate Similarity | NPC219038 |
0.7087 | Intermediate Similarity | NPC28304 |
0.7087 | Intermediate Similarity | NPC298255 |
0.708 | Intermediate Similarity | NPC135369 |
0.7079 | Intermediate Similarity | NPC327041 |
0.7079 | Intermediate Similarity | NPC285840 |
0.7075 | Intermediate Similarity | NPC474285 |
0.7075 | Intermediate Similarity | NPC254538 |
0.7071 | Intermediate Similarity | NPC473723 |
0.7071 | Intermediate Similarity | NPC473663 |
0.7071 | Intermediate Similarity | NPC475173 |
0.7071 | Intermediate Similarity | NPC473520 |
0.7071 | Intermediate Similarity | NPC473561 |
0.7069 | Intermediate Similarity | NPC179261 |
0.7064 | Intermediate Similarity | NPC328074 |
0.7064 | Intermediate Similarity | NPC317460 |
0.7064 | Intermediate Similarity | NPC321272 |
0.7064 | Intermediate Similarity | NPC470025 |
0.7059 | Intermediate Similarity | NPC307517 |
0.7059 | Intermediate Similarity | NPC81483 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC285588 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 |
---|---|---|---|
0.7755 | Intermediate Similarity | NPD8029 | Clinical (unspecified phase) |
0.7396 | Intermediate Similarity | NPD7838 | Discovery |
0.717 | Intermediate Similarity | NPD6686 | Approved |
0.687 | Remote Similarity | NPD8513 | Phase 3 |
0.687 | Remote Similarity | NPD8516 | Approved |
0.687 | Remote Similarity | NPD8517 | Approved |
0.687 | Remote Similarity | NPD8515 | Approved |
0.6869 | Remote Similarity | NPD6698 | Approved |
0.6869 | Remote Similarity | NPD46 | Approved |
0.6818 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6752 | Remote Similarity | NPD7829 | Approved |
0.6752 | Remote Similarity | NPD7830 | Approved |
0.6724 | Remote Similarity | NPD7503 | Approved |
0.6638 | Remote Similarity | NPD8377 | Approved |
0.6638 | Remote Similarity | NPD8294 | Approved |
0.6581 | Remote Similarity | NPD8296 | Approved |
0.6581 | Remote Similarity | NPD8379 | Approved |
0.6581 | Remote Similarity | NPD8335 | Approved |
0.6581 | Remote Similarity | NPD8378 | Approved |
0.6581 | Remote Similarity | NPD8380 | Approved |
0.6471 | Remote Similarity | NPD7983 | Approved |
0.6441 | Remote Similarity | NPD8033 | Approved |
0.6353 | Remote Similarity | NPD6123 | Approved |
0.6325 | Remote Similarity | NPD7327 | Approved |
0.6325 | Remote Similarity | NPD7328 | Approved |
0.6311 | Remote Similarity | NPD8448 | Approved |
0.6303 | Remote Similarity | NPD8444 | Approved |
0.629 | Remote Similarity | NPD8390 | Approved |
0.629 | Remote Similarity | NPD8391 | Approved |
0.629 | Remote Similarity | NPD8392 | Approved |
0.6271 | Remote Similarity | NPD7516 | Approved |
0.6263 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6261 | Remote Similarity | NPD8133 | Approved |
0.625 | Remote Similarity | NPD7329 | Approved |
0.623 | Remote Similarity | NPD8451 | Approved |
0.6214 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.6186 | Remote Similarity | NPD7641 | Discontinued |
0.6179 | Remote Similarity | NPD8074 | Phase 3 |
0.6147 | Remote Similarity | NPD5344 | Discontinued |
0.6098 | Remote Similarity | NPD7507 | Approved |
0.6075 | Remote Similarity | NPD7839 | Suspended |
0.6066 | Remote Similarity | NPD8328 | Phase 3 |
0.6055 | Remote Similarity | NPD6648 | Approved |
0.6024 | Remote Similarity | NPD7346 | Approved |
0.6018 | Remote Similarity | NPD6412 | Phase 2 |
0.6016 | Remote Similarity | NPD8342 | Approved |
0.6016 | Remote Similarity | NPD8340 | Approved |
0.6016 | Remote Similarity | NPD8341 | Approved |
0.6016 | Remote Similarity | NPD8299 | Approved |
0.5952 | Remote Similarity | NPD7319 | Approved |
0.5935 | Remote Similarity | NPD7642 | Approved |
0.5934 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5904 | Remote Similarity | NPD893 | Approved |
0.5904 | Remote Similarity | NPD891 | Phase 3 |
0.5904 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.5904 | Remote Similarity | NPD888 | Phase 3 |
0.5904 | Remote Similarity | NPD892 | Phase 3 |
0.5897 | Remote Similarity | NPD6430 | Approved |
0.5897 | Remote Similarity | NPD6429 | Approved |
0.5893 | Remote Similarity | NPD1407 | Approved |
0.5878 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.5877 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5852 | Remote Similarity | NPD7266 | Discontinued |
0.5795 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD3181 | Approved |
0.5783 | Remote Similarity | NPD2269 | Approved |
0.5776 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5701 | Remote Similarity | NPD7637 | Suspended |
0.5686 | Remote Similarity | NPD6110 | Phase 1 |
0.5676 | Remote Similarity | NPD7638 | Approved |
0.5676 | Remote Similarity | NPD4225 | Approved |
0.5663 | Remote Similarity | NPD904 | Phase 3 |
0.5663 | Remote Similarity | NPD905 | Approved |
0.5648 | Remote Similarity | NPD5779 | Approved |
0.5648 | Remote Similarity | NPD5778 | Approved |
0.5625 | Remote Similarity | NPD7640 | Approved |
0.5625 | Remote Similarity | NPD7639 | Approved |
PubChem CID   | 9940690 |
ChEMBL   | CHEMBL2311863 |
ZINC   |
Molecular Weight:   | 814.33 |
ALogP:   | -0.9751 |
MLogP:   | 3.55 |
XLogP:   | 0.323 |
# Rotatable Bonds:   | 32 |
Polar Surface Area:   | 312.05 |
# H-Bond Aceptor:   | 19 |
# H-Bond Donor:   | 11 |
# Rings:   | 3 |
# Heavy Atoms:   | 57 |