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

General Information of Drug (ID: DR1042)
Drug Name
Methaqualone
Synonyms
Melsedin; Mequal; Methaqualone HCl; Methaqualone hydrochloride; Methylquinazolone hydrochloride; Mozambin hydrochloride; Optimil; Parest; Hyminal monohydrochloride; CHI 38; MTQ hydrochloride; Melsed HCl; Quaalude hydrochloride; RJQ4G25ZRH; Somnafac; Somnofac; Sopor hydrochloride; TR 495 monohydrochloride; 2-Methyl-3-(o-tolyl)-4-quinazolone hydrochloride; 2-Methyl-3-tolylchinazolon-4 hydrochloride [German]; 340-56-7; 4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, monohydrochloride; EINECS 206-431-2; NSC 75892; UNII-RJQ4G25ZRH
Indication Insomnia [ICD11: 7A00] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 286.75 Topological Polar Surface Area 32.7
Heavy Atom Count 20 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
63196
CAS Number
340-56-7
TTD Drug ID
D0T7XI
Formula
C16H15ClN2O
Canonical SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C.Cl
InChI
1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3
InChIKey
KJUHIXIWKSVBKB-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
3'-hydroxymethaqualone DM002654
619742
Oxidation - Monohydroxylation 1 [2]
4'-hydroxymethaqualone DM002656
21143
Oxidation - Monohydroxylation 1 [2]
6-hydroxymethaqualone DM002658
64016
Oxidation - Monohydroxylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001661 Methaqualone 3'-hydroxymethaqualone Oxidation - Monohydroxylation Unclear [2]
MR001662 Methaqualone 4'-hydroxymethaqualone Oxidation - Monohydroxylation Unclear [2]
MR001664 Methaqualone 6-hydroxymethaqualone Oxidation - Monohydroxylation Unclear [2]
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 National Center for Advancing Translational Science-Inxight: drug (7ZKH8MQW6T)
2 Assessment of the stereoselective metabolism of methaqualone in man by capillary electrophoresis. Electrophoresis. 2003 Aug;24(15):2598-607.

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