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CHEBI:90864 - sonidegib phosphate
| Formula | C26H26F3N3O3.2H3O4P |
| Net Charge | 0 |
| Average Mass | 681.494 |
| Monoisotopic Mass | 681.14642 |
| SMILES | Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.O=P(O)(O)O.O=P(O)(O)O |
| InChI | InChI=1S/C26H26F3N3O3.2H3O4P/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;2*1-5(2,3)4/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);2*(H3,1,2,3,4)/t16-,17+;; |
| InChIKey | RWIVSVMMGFFZIJ-VWDRLOGHSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | Hedgehog signaling pathway inhibitor Any pathway inhibitor that inhibits the Hedgehog signalling pathway. SMO receptor antagonist An antagonist that interferes with the action of smoothened (SMO) receptor. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sonidegib phosphate (CHEBI:90864) has part sonidegib (CHEBI:90863) |
| sonidegib phosphate (CHEBI:90864) has role antineoplastic agent (CHEBI:35610) |
| sonidegib phosphate (CHEBI:90864) has role Hedgehog signaling pathway inhibitor (CHEBI:140921) |
| sonidegib phosphate (CHEBI:90864) has role SMO receptor antagonist (CHEBI:66908) |
| sonidegib phosphate (CHEBI:90864) is a phosphate salt (CHEBI:37853) |
| IUPAC Name |
|---|
| rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide bis(phosphate) |
| INN | Source |
|---|---|
| sonidegib phosphate | ChemIDplus |
| Synonyms | Source |
|---|---|
| sonidegib diphosphate | ChEBI |
| sonidegib bisphosphate | ChEBI |
| Brand Name | Source |
|---|---|
| Odomzo | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| Reaxys:27699342 | Reaxys |
| CAS:1218778-77-8 | KEGG DRUG |
| CAS:1218778-77-8 | ChemIDplus |
| Citations |
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