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

General Information of Drug (ID: DR2389)
Drug Name
Buramate
Synonyms
Benzylurethane du glycol; Benzylurethane du glycol [French]; Buramat; Buramate; Buramate [USAN:INN]; Buramato; Buramato [INN-Spanish]; Buramatum; Buramatum [INN-Latin]; Hyamate; Q9HDA6U6V4; 2-Hydroxyethyl N-benzylcarbamate; 2-Hydroxyethyl benzylcarbamate; 242 HC; 4663-83-6; AC 601; AC-601; BRN 2838813; Benzylcarbamic acid 2-hydroxyethyl ester; CARBAMIC ACID, BENZYL-, 2-HYDROXYETHYL ESTER; Carbamic acid, (phenylmethyl)-, 2-hydroxyethyl ester; Ethylene glycol, mono(benzylcarbamate); NSC 30223; NSC30223; UNII-Q9HDA6U6V4
Indication Focal seizure [ICD11: 8A68] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 195.21 Topological Polar Surface Area 58.6
Heavy Atom Count 14 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
20787
ChEBI ID
CHEBI:134851
CAS Number
4663-83-6
Formula
C10H13NO3
Canonical SMILES
C1=CC=C(C=C1)CNC(=O)OCCO
InChI
1S/C10H13NO3/c12-6-7-14-10(13)11-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)
InChIKey
YFLRYAVDPKONNX-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Buramate M1 PDM007369 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Buramate M2 PDM007370 N. A. Conjugation - Sulfation of primary alcohol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1362 Bacteroides caccae Not Available Not Available [2]
References
1 National Center for Advancing Translational Science-Inxight: drug (Q9HDA6U6V4)
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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