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]
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Therapeutic Class

Antihistamines

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)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:59177
CAS Number: 118-23-0
DrugBank ID: DB01237
TTD ID: D0Y5GK

Repurposed Drugs (RPD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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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.