Details of the Drug

General Information of Drug (ID: DMNDJT5)

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
Disease Entry ICD 11 Status REF
Common cold CA00 Approved [1]
Cough MD12 Approved [1]
Hay fever CA08.00 Approved [2]
Seasonal allergic rhinitis CA08.01 Approved [1]
Therapeutic Class
Antihistamines
Affected Organisms
Humans and other mammals
ATC Code
R06AA01: Bromodiphenhydramine
R06AA: Aminoalkyl ethers
R06A: ANTIHISTAMINES FOR SYSTEMIC USE
R06: ANTIHISTAMINES FOR SYSTEMIC USE
R: RESPIRATORY SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.2
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Absorption
The drug is well absorbed in the digestive tract []
Half-life
The concentration or amount of drug in body reduced by one-half in 1 - 4 hours [3]
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C17H20BrNO
IUPAC Name
2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine
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
Cross-matching ID
PubChem CID
2444
ChEBI ID
CHEMBL59177
CAS Number
118-23-0
UNII
T032BI7727
DrugBank ID
DB01237
TTD ID
D0Y5GK
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H1 receptor (H1R) TTTIBOJ HRH1_HUMAN Antagonist [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Common cold
ICD Disease Classification CA00
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H1 receptor (H1R) DTT HRH1 6.74E-01 0.13 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Bromodiphenhydramine FDA Label
2 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).
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 Studies on synergism between penicillins and ambodryl (bromodiphenhydramine HCl), an antihistamine with antimicrobial property. Indian J Exp Biol. 1990 Mar;28(3):253-8.