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

General Information of Drug (ID: DR4047)
Drug Name
GDC-0623
Synonyms
1168091-68-6; GDC 0623; UNII-HW67545I4Q; RG 7421; GDC0623; HW67545I4Q; G-868; Imidazo[1,5-a]pyridine-6-carboxamide, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-; 5-((2-FLUORO-4-IODOPHENYL)AMINO)-N-(2-HYDROXYETHOXY)IMIDAZO[1,5-A]PYRIDINE-6-CARBOXAMIDE; RFWVETIZUQEJEF-UHFFFAOYSA-N; GTPL9909; SCHEMBL1615104; CHEMBL3330650; MolPort-039-193-834; BCP28689; AOB87143; EX-A2060; s7553; ZINC43206499; BDBM50025226; AKOS027253679; DB11982; SB16957; CS-2281; BC600628; HY-15610; KB-144448; FT-0769207; Z-3311
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 456.21 Topological Polar Surface Area 87.9
Heavy Atom Count 25 Rotatable Bond Count 6
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
42642654
CAS Number
1168091-68-6
TTD Drug ID
D0R3VK
Formula
C16H14FIN4O3
Canonical SMILES
C1=CC(=C(C=C1I)F)NC2=C(C=CC3=CN=CN32)C(=O)NOCCO
InChI
InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
InChIKey
RFWVETIZUQEJEF-UHFFFAOYSA-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
GDC-0623 M14 DM018000 N. A. Unclear - Unclear 1 [2]
GDC-0623 M15 DM016514
118713121
Unclear - Unclear 1 [2]
GDC-0623 M13 DM017999 N. A. Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009804 GDC-0623 GDC-0623 M15 Unclear - Unclear Unclear [2]
MR009806 GDC-0623 GDC-0623 M14 Unclear - Unclear CYP2C19 ... [2]
MR009805 GDC-0623 M15 GDC-0623 M13 Unclear - Unclear CYP2C19 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Clinical pipeline report, company report or official report of Genentech (2011).
2 Elucidating the Mechanisms of Formation for Two Unusual Cytochrome P450-Mediated Fused Ring Metabolites of GDC-0623, a MAPK/ERK Kinase Inhibitor

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