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

General Information of Drug (ID: DR1104)
Drug Name
Modafinil
Synonyms
Modafinil [USAN:INN]; Modafinilo; Modafinilo [Spanish]; Modafinilum; Modafinilum [Latin]; Modavigil; Moderateafinil; Modiodal; Provigil; Sparlon; modafinil; (+-)-Modafinil; 2-((Diphenylmethyl)sulfinyl)acetamide; 2-(Benzhydrylsulfinyl)acetamide; Alertec; CEP 1538; CEP-1538; CRL 40476; CRL-40476; 2-(Diphenyl-methanesulfinyl)-acetamide; 2-(diphenylmethyl)sulfinylacetamide; 2-[(diphenylmethyl)sulfinyl]acetamide; 2-benzhydrylsulfinylacetamide; 68693-11-8; CHEBI:77585; CHEMBL1373; DEA No. 1680; MFCD00868082; NCGC00095176-03
Indication Narcolepsy [ICD11: 7A20] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 273.4 Topological Polar Surface Area 79.4
Heavy Atom Count 19 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
4236
ChEBI ID
CHEBI:77585
CAS Number
68693-11-8
TTD Drug ID
D07HQC
Formula
C15H15NO2S
Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N
InChI
1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKey
YFGHCGITMMYXAQ-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
Modafinil acid DM001749
3085267
Oxidation - Oxidationn 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013407 Modafinil Modafinil acid Oxidation - Oxidationn CYP3A4 [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 Modafinil was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 DrugBank(Pharmacology-Metabolism):Modafinil

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