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

General Information of Drug (ID: DR5235)
Drug Name
Isocarboxazid
Synonyms
BMIH; Benazide; Enerzer; Isocarbonazid; Isocarbossazide; Isocarboxazida; Isocarboxazide; Isocarboxazidum; Isocarboxyzid; Maraplan; Marplan; Marplon; Isocarbossazide [DCIT]; Isocarboxazid (INN); Isocarboxazid [INN:BAN]; Isocarboxazida [INN-Spanish]; Isocarboxazide [INN-French]; Isocarboxazidum [INN-Latin]; Marplan (TN); Ro5-0831; Ro 5-0831/1; N'-Benzyl N-methyl-5-isoxazolecarboxylhydrazide-3; N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide; 1-Benzyl-2-(5-methyl-3-isoxazolyl-carbonyl)hydrazine; 1-Benzyl-2-(5-methyl-3-isoxazolylcarbonyl)hydrazine; 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide; 3-Isoxazolecarboxylic acid, 5-methyl-, 2-benzylhydrazide; 5-Methyl-3-isoxazolecarboxylic acid 2-benzylhydrazide; 5-methyl-N'-(phenylmethyl)isoxazole-3-carbohydrazide
Indication Depression [ICD11: 6A70-6A7Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 231.25 Topological Polar Surface Area 67.2
Heavy Atom Count 17 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
3759
ChEBI ID
CHEBI:93635
CAS Number
59-63-2
TTD Drug ID
D0I2VK
Formula
C12H13N3O2
Canonical SMILES
CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2
InChI
InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
InChIKey
XKFPYPQQHFEXRZ-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
Benzylhydrazine (BZH) DM014945
11157
Unclear - Unclear 1 [2]
Benzylhydrazine (BZH) DM014945
11157
Unclear - Unclear 1 [3]
Midostaurin Metabolite P6B DM001361
464
Unclear - Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010229 Isocarboxazid Benzylhydrazine (BZH) Unclear - Unclear Unclear [2]
MR010230 Isocarboxazid Hippuric acid Unclear - Unclear Unclear [4]
MR014069 Isocarboxazid Benzylhydrazine Unclear - Unclear Unclear [3]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7204).
2 Activation of tryptophan pyrrolase by benzylhydrazine
3 Bioconcentration, metabolism, and biomarker responses in marine medaka (Oryzias melastigma) exposed to sulfamethazine
4 DrugBank(Pharmacology-Metabolism):Isocarboxazid

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