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Compound Detail

CHEMBL1201245

BROMODIPHENHYDRAMINE
💊 Approved Drug
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💊 Approved Drug
CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1

Basic Information

ChEMBL ID CHEMBL1201245
Name BROMODIPHENHYDRAMINE
Phase Approved
Structure Type MOL
InChI Key NUNIWXHYABYXKF-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

4-bromodiphen hydramine Bromazina Bromazine Deserol Histabromamine Neo-benadryl
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications

Molecular Properties

334.3
MW (Da)
4.12
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1954
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral

Flags

Natural Product

Extended Properties

Molecular Formula C17H20BrNO
MW 334.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.71

Indications

Hypersensitivity

ATC Classification

R06AA01
bromazine
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE

Activity Summary

IC50 4 meas. best 5.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.56 5.2 2767.4 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9891-y Rattus norvegicus 4
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 1
37468498 10.1038/s41467-023-40064-9 Histamine H3 receptor 1
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A3 1
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 1
37468498 10.1038/s41467-023-40064-9 D(3) dopamine receptor 1
37468498 10.1038/s41467-023-40064-9 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 1
37468498 10.1038/s41467-023-40064-9 Vascular endothelial growth factor receptor 2 1
37468498 10.1038/s41467-023-40064-9 Amine oxidase [flavin-containing] A 1
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 1
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 1
37468498 10.1038/s41467-023-40064-9 Acetylcholinesterase 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine