Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1499)
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
Indication Basal cell carcinoma [ICD11: 2C32] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 681.5 Topological Polar Surface Area 219
Heavy Atom Count 45 Rotatable Bond Count 5
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
45138699
ChEBI ID
CHEBI:90864
CAS Number
1218778-77-8
Formula
C26H32F3N3O11P2
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
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Sonidegib metabolite M16 DM006365
92135771
Multi-steps Reaction - Oxidationn; hydrolysis 1 [2]
Sonidegib metabolite M25 DM006363
92135717
Multi-steps Reaction - Oxidationn; hydrolysis 1 [2]
Sonidegib metabolite M48 DM006364
53228253
Multi-steps Reaction - Oxidationn; hydrolysis 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006830 Sonidegib phosphate Sonidegib metabolite M25 Multi-steps Reaction - Oxidationn; hydrolysis CYP3A4 [2]
MR006831 Sonidegib phosphate Sonidegib metabolite M48 Multi-steps Reaction - Oxidationn; hydrolysis CYP3A4 [2]
MR006832 Sonidegib phosphate Sonidegib metabolite M16 Multi-steps Reaction - Oxidationn; hydrolysis CYP3A4 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Sonidegib Phosphate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Sonidegib: first global approval. Drugs. 2015 Sep;75(13):1559-66.

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