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

General Information of Drug (ID: DR3445)
Drug Name
GSK2140944
Synonyms Gepotidacin
Indication Neisseria gonorrhoeae infection [ICD11: 1A70-1A7Z] Phase 3 [1]
Urinary tract infection [ICD11: ICD11: GC08] Phase 3 [2]
Acute bacterial skin infection [ICD11: ICD11: 1A00-1C4Z] Phase 2 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 448.5 Topological Polar Surface Area 90.4
Heavy Atom Count 33 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
25101874
CAS Number
1075236-89-3
TTD Drug ID
D0R9US
Formula
C24H28N6O3
Canonical SMILES
C1CC2=CC(=NC=C2OC1)CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6
InChI
InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1
InChIKey
PZFAZQUREQIODZ-LJQANCHMSA-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
GSK2140944 Metabolite M12 DM019151 N. A. Unclear - Unclear 1 [5]
GSK2140944 Metabolite M21 DM019152 N. A. Unclear - Unclear 1 [5]
GSK2140944 Metabolite M3 DM019153 N. A. Unclear - Unclear 1 [5]
GSK2140944 Metabolite M4 DM019146 N. A. Unclear - Unclear 1 [5]
GSK2140944 Metabolite M5 DM019154 N. A. Unclear - Unclear 1 [5]
GSK2140944 Metabolite M2 DM019147 N. A. Unclear - Unclear 2 [5]
GSK2140944 Metabolite M21 DM019152 N. A. Unclear - Unclear 2 [5]
GSK2140944 Metabolite M7/8 DM019150 N. A. Unclear - Unclear 2 [5]
GSK2140944 Metabolite M13 DM019148 N. A. Unclear - Unclear 3 [5]
GSK2140944 Metabolite M19 DM019149 N. A. Unclear - Unclear 3 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011611 GSK2140944 GSK2140944 Metabolite M4 Unclear - Unclear CYP3A4 [5]
MR011616 GSK2140944 GSK2140944 Metabolite M12 Unclear - Unclear Unclear [5]
MR011619 GSK2140944 GSK2140944 Metabolite M3 Unclear - Unclear Unclear [5]
MR011620 GSK2140944 GSK2140944 Metabolite M5 Unclear - Unclear Unclear [5]
MR011621 GSK2140944 GSK2140944 Metabolite M21 Unclear - Unclear Unclear [5]
MR011617 GSK2140944 Metabolite M12 GSK2140944 Metabolite M7/8 Unclear - Unclear Unclear [5]
MR011618 GSK2140944 Metabolite M12 GSK2140944 Metabolite M21 Unclear - Unclear Unclear [5]
MR011612 GSK2140944 Metabolite M4 GSK2140944 Metabolite M2 Unclear - Unclear Unclear [5]
MR011615 GSK2140944 Metabolite M4 GSK2140944 Metabolite M7/8 Unclear - Unclear Unclear [5]
MR011613 GSK2140944 Metabolite M2 GSK2140944 Metabolite M13 Unclear - Unclear Unclear [5]
MR011614 GSK2140944 Metabolite M2 GSK2140944 Metabolite M19 Unclear - Unclear Unclear [5]
⏷ Show the Full List of 11 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
[4]
References
1 ClinicalTrials.gov (NCT04010539) A Study Evaluating Efficacy and Safety of Gepotidacin Compared With Ceftriaxone Plus Azithromycin in the Treatment of Uncomplicated Urogenital Gonorrhea. U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT04020341) A Study to Evaluate Efficacy and Safety of Gepotidacin in the Treatment of Uncomplicated Urinary Tract Infection (UTI). U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Clinical assessment of gepotidacin (GSK2140944) as a victim and perpetrator of drug-drug interactions via CYP3A metabolism and transporters
5 The metabolism and disposition of GSK2140944 in healthy human subjects

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