Details of the Drug

General Information of Drug (ID: DM72409)

• Drug Name: Sonidegib phosphate
• Synonyms: Sonidegib phosphate; Sonidegib phosphate (USAN); Sonidegib phosphate [USAN:INN]; UNII-W421AI34UW; W421AI34UW; sonidegib bisphosphate; sonidegib diphosphate; 1218778-77-8; 3888AH; AKOS015994565; AOB87343; BCP11860; C26H26F3N3O3.2H3O4P; CHEBI:90864; CHEMBL3137317; CS-1175; DTXSID90669468; EX-A1556; Erismodegib Diphosphate; FE-0016; HY-16582; KS-00002WSZ; LDE-225 Diphosphate; LDE225 (Diphosphate); LDE225 Diphosphate; NVP-LDE225 Diphosphate; NVP-LDE225 Diphosphate salt; Odomzo (TN); SB16677
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 681.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 5
  Hydrogen Bond Donor Count; 7
  Hydrogen Bond Acceptor Count; 16
• Chemical Identifiers:
  Formula: C26H32F3N3O11P2
  IUPAC Name: N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;phosphoric acid
  Canonical SMILES: CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F.OP(=O)(O)O.OP(=O)(O)O
  InChI: RWIVSVMMGFFZIJ-VWDRLOGHSA-N
  InChIKey: 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+
• Cross-matching ID:
  PubChem CID: 45138699
  ChEBI ID: CHEBI:90864
  CAS Number: 1218778-77-8
  INTEDE ID: DR1499

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[1]

References

• [1] Sonidegib: first global approval. Drugs. 2015 Sep;75(13):1559-66.