CHEBI:90864 - sonidegib phosphate

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ChEBI Name sonidegib phosphate ChEBI ID CHEBI:90864 Definition A phosphate salt obtained by reaction sonidegib with two equivalent of phosphoric acid. Used for treatment of locally advanced basal cell carcinoma. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C26H32F3N3O11P2 Net Charge 0 Average Mass 681.490 Monoisotopic Mass 681.14642 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 SMILES O1[C@H](CN(C[C@H]1C)C2=NC=C(C=C2)NC(C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F)=O)C.P(=O)(O)(O)O.P(=O)(O)(O)O Roles Classification Biological Role(s): 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(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources sonidegib bisphosphate ChEBI sonidegib diphosphate ChEBI Brand Name Source Odomzo KEGG DRUG Manual Xrefs Databases D10729 KEGG DRUG Sonidegib Wikipedia View more database links Registry Numbers Types Sources 1218778-77-8 CAS Registry Number ChemIDplus 1218778-77-8 CAS Registry Number KEGG DRUG 27699342 Reaxys Registry Number Reaxys Citations Types Sources 26323341 PubMed citation Europe PMC PMC4571841 PubMed Central citation Europe PMC Last Modified 01 June 2018