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

General Information of Drug (ID: DR1026)
Drug Name
DEA-2250
Synonyms
Enfenemal; Enphenemal; Enphenemalum; Mephobarbital; Isonal (roussel); METHYLPHENOBARBITAL; Mebaral; Mebroin; Menta-Bal; Mephobarbitone; Mephytal; Methyl-calminal; Methylphenobarbitalum; Methylphenobarbitone; Methylphenobarbitonum; Methylphenolbarbital; Methylphenylbarbituric acid; Metilfenobarbital; Metilfenobarbitale [DCIT]; Metylfenemal; Metyna; Morbusan; N-Methylphenobarbital; N-Methylphenolbarbitol; Phemetone; Phemiton; Phemitone; Prominal; Prominaletten; Prominalum; 1-Methylphenobarbital; 115-38-8; N-Methylethylphenylbarbituric acid
Indication Epilepsy [ICD11: 8A60] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 246.26 Topological Polar Surface Area 66.5
Heavy Atom Count 18 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
8271
PubChem SID
10031 ; 5093039 ; 7847765 ; 7979946 ; 8147151 ; 8155794 ; 10504537 ; 14749710 ; 29215275 ; 29215276 ; 29226981 ; 46505197 ; 47833442 ; 48416217 ; 49874379 ; 56459436 ; 57324893 ; 76802480 ; 81093033 ; 87691917 ; 88488011 ; 92714690 ; 103224015 ; 104317381 ; 106801875 ; 117837484 ; 125823035 ; 127422109 ; 128099894 ; 134337969 ; 134974876 ; 137101290 ; 137240130 ; 144205153 ; 160964190 ; 164761780 ; 169763687 ; 177513116 ; 179226247 ; 181851673 ; 184548424 ; 226421831 ; 250086055 ; 252452819
ChEBI ID
ChEBI:6758
CAS Number
115-38-8
TTD Drug ID
D08UMH
Formula
C13H14N2O3
Canonical SMILES
CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2
InChI
1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
InChIKey
ALARQZQTBTVLJV-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
4-hydroxymephobarbital DM005583
133152
Unclear 1 [2]
Phenobarbital DM003076
4763
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005953 Mephobarbital Phenobarbital Unclear CYP2B6 [2]
MR005954 Mephobarbital 4-hydroxymephobarbital Unclear CYP2C19 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[3]
References
1 National Center for Advancing Translational Science-Inxight: drug (5NC67NU76B)
2 Pharmacogenetic roles of CYP2C19 and CYP2B6 in the metabolism of R- and S-mephobarbital in humans. Pharmacogenetics. 2004 Aug;14(8):549-56.
3 A novel single nucleotide polymorphism (SNP) of the CYP2C19 gene in a Japanese subject with lowered capacity of mephobarbital 4'-hydroxylation. Drug Metab Pharmacokinet. 2004 Jun;19(3):236-8.

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