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

General Information of Drug (ID: DR3309)
Drug Name
GSK2269557
Synonyms .
Indication Asthma [ICD11: CA23] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 440.5 Topological Polar Surface Area 77
Heavy Atom Count 33 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
49784002
CAS Number
1254036-71-9
TTD Drug ID
D06GUA
Formula
C26H28N6O
Canonical SMILES
CC(C)N1CCN(CC1)CC2=CN=C(O2)C3=C4C=NNC4=CC(=C3)C5=C6C=CNC6=CC=C5
InChI
InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)
InChIKey
MCIDWGZGWVSZMK-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
GSK2269557 Metabolite M1 DM019088 N. A. Oxidation - N-dealkylation 1 [3]
GSK2269557 Metabolite M14 DM019094 N. A. Conjugation - Glucuronide conjugation 1 [3]
GSK2269557 Metabolite M15 DM019093 N. A. Oxidation - Oxidation 1 [3]
GSK2269557 Metabolite M7 DM019090 N. A. Oxidation - Oxidation 1 [3]
GSK2269557 Metabolite M3 DM019092 N. A. Conjugation - Glucuronide conjugation 2 [3]
GSK2269557 Metabolite M6 DM019091 N. A. Multi-steps Reaction - Oxidation; Sulfate conjugation 2 [3]
GSK2269557 Metabolite M9 DM019089 N. A. Conjugation - Sulfate conjugation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011530 GSK2269557 GSK2269557 Metabolite M1 Oxidation - N-dealkylation Unclear [3]
MR011532 GSK2269557 GSK2269557 Metabolite M7 Oxidation - Oxidation Unclear [3]
MR011535 GSK2269557 GSK2269557 Metabolite M15 Oxidation - Oxidation Unclear [3]
MR011536 GSK2269557 GSK2269557 Metabolite M14 Conjugation - Glucuronide conjugation Unclear [3]
MR011531 GSK2269557 Metabolite M1 GSK2269557 Metabolite M9 Conjugation - Sulfate conjugation Unclear [3]
MR011533 GSK2269557 Metabolite M7 GSK2269557 Metabolite M6 Multi-steps Reaction - Oxidation; Sulfate conjugation Unclear [3]
MR011534 GSK2269557 Metabolite M7 GSK2269557 Metabolite M3 Conjugation - Glucuronide conjugation Unclear [3]
⏷ Show the Full List of 7 MR(s)
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 ClinicalTrials.gov (NCT02522299) A Study to Evaluate the Safety, Efficacy and Changes in Induced Sputum and Blood Biomarkers Following Daily Repeat Doses of Inhaled GSK2269557 in Chronic Obstructive Pulmonary Disease (COPD) Subjects With Acute Exacerbation.
2 Physiologically Based Pharmacokinetic Modelling of Inhaled Nemiralisib: Mechanistic Components for Pulmonary Absorption, Systemic Distribution, and Oral Absorption
3 Pharmacokinetics and metabolism of ulixertinib in rat by liquid chromatography combined with electrospray ionization tandem mass spectrometry

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