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

General Information of Drug (ID: DR1855)
Drug Name
PNU-100480
Synonyms
PF-02341272; PNU 100480; PNU-100480; Sutezolid; Sutezolid [USAN:INN]; U 100480; U-100480; (S)-N-((3-(3-fluoro-4-thiomorpholinophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide; 168828-58-8; 3A71182L8P; MMV688756; N-((3-(3-Fluoro-4-(1,4-thiazaperhydroin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl)methyl)acetamide; N-[[(5S)-3-(3-fluoro-4-thiomorpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]acetamide; N-{[3-(3-Fluoro-4-(1,4-thiazaperhydroin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide; NSC742407; UNII-3A71182L8P
Indication Pulmonary tuberculosis [ICD11: 1B10] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 353.4 Topological Polar Surface Area 87.2
Heavy Atom Count 24 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
465951
CAS Number
168828-58-8
TTD Drug ID
D0BW4W
Formula
C16H20FN3O3S
Canonical SMILES
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCSCC3)F
InChI
1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey
FNDDDNOJWPQCBZ-ZDUSSCGKSA-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
PNU-101244 DM002781
465951
Unclear 1 [3]
PNU-101603 DM002780
465952
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002073 PNU-100480 PNU-101603 Unclear Unclear [3]
MR002074 PNU-100480 PNU-101244 Unclear Unclear [3]
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 (NCT01225640) PNU-100480 In Newly Diagnosed, Drug Sensitive Patients With Pulmonary TB; Early Bactericidal Activity; Whole Blood Assay.
2 TB and HIV therapeutics: pharmacology research priorities. AIDS Res Treat. 2012;2012:874083.
3 Population pharmacokinetic/pharmacodynamic analysis of the bactericidal activities of sutezolid (PNU-100480) and its major metabolite against intracellular Mycobacterium tuberculosis in ex vivo whole-blood cultures of patients with pulmonary tuberculosis Antimicrob Agents Chemother. 2014 Jun;58(6):3306-11. doi: 10.1128/AAC.01920-13.

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