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

General Information of Drug (ID: DR5559)
Drug Name
Bromodiphenhydramine
Synonyms
Amodryl; Bromanautine; Bromazin; Bromazina; Bromazine; Bromazinum; Bromdiphenhydramine; Bromdiphenhydraminum; Deserol; Histabromamine; Ambodryl hydrochloride; Bromdiphenhydramine hydrochloride; Bromdiphenylhydramine hydrochloride; Bromodiphenhydramine hydrochloride; Ambrodyl (TN); Bromazina [INN-Spanish]; Bromazine [INN:BAN]; Bromazinum [INN-Latin]; Bromo-Benadryl; Bromo-Benzdryl; Neo-Benadryl; Beta-dimethylaminoethyl p-bromobenzhydryl ether; Beta-(p-Bromobenzhydryloxy)ethyldimethylamine; 2-(p-bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine; 2-[(4-Bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine; 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine; 2-{[(4-bromophenyl)(phenyl)methyl]oxy}-N,N-dimethylethanamine
Indication Allergic rhinitis [ICD11: CA08] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 334.2 Topological Polar Surface Area 12.5
Heavy Atom Count 20 Rotatable Bond Count 6
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
2444
ChEBI ID
CHEBI:59177
CAS Number
118-23-0
TTD Drug ID
D0Y5GK
Formula
C17H20BrNO
Canonical SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
InChIKey
NUNIWXHYABYXKF-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
Bromodiphenhydramine M1 PDM012625 N. A. Conjugation - N-Glucuronidation of tertiary aliphatic amine 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 (CYP) DMEN060 . Not Available Not Available [2]
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: 7132).
2 U. S. FDA Label -Bromodiphenhydramine

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