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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200967
CHEMBL1200967
Compound Name BROMODIPHENHYDRAMINE HYDROCHLORIDE
ChEMBL Synonyms AMBODRYL | BROMAZINE | BROMODIPHENHYDRAMINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names AMBODRYL
Molecular Formula C17H21BrClNO

Additional synonyms for CHEMBL1200967 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CN(C)CCOC(c1ccccc1)c2ccc(Br)cc2
Standard InChI InChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14) ...
Download InChI
Standard InChI Key ZQDJSWUEGOYDGT-UHFFFAOYSA-N

Sources

  • Orange Book
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200967

Molecule Features

CHEMBL1200967 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Histamine H1 receptor antagonist Histamine H1 receptor PubMed PubMed

Clinical Data

ClinicalTrials.gov BROMODIPHENHYDRAMINE HYDROCHLORIDE
The Cochrane Collaboration BROMODIPHENHYDRAMINE HYDROCHLORIDE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200967. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL338 Dopamine transporter Rattus norvegicus 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL238 Dopamine transporter Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL222 Norepinephrine transporter Homo sapiens 1.000
CHEMBL287 Sigma opioid receptor Homo sapiens 0.996
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.996
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.970
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.956
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.919
CHEMBL3593 Lanosterol synthase Homo sapiens 0.904
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.889
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.841
CHEMBL231 Histamine H1 receptor Homo sapiens 0.706
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.692
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.682
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.478
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.290
CHEMBL3764 Urotensin II receptor Homo sapiens 0.256
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.254



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL338 Dopamine transporter Rattus norvegicus 1.000
CHEMBL238 Dopamine transporter Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL222 Norepinephrine transporter Homo sapiens 1.000
CHEMBL6184 Transporter Rattus norvegicus 1.000
CHEMBL4245 Estrogen-related receptor gamma Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.999
CHEMBL287 Sigma opioid receptor Homo sapiens 0.996
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.996
CHEMBL3593 Lanosterol synthase Homo sapiens 0.992
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.974
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.937
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.920
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.728
CHEMBL231 Histamine H1 receptor Homo sapiens 0.699
CHEMBL3764 Urotensin II receptor Homo sapiens 0.520
CHEMBL1941 Histamine H2 receptor Homo sapiens 0.414
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.388
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.314

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
334.3 333.0728 4.12 6 12.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.71 4.03 2.71 2 20 0.79

Structural Alerts

There are 2 structural alerts for CHEMBL1200967. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZQDJSWUEGOYDGT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200967



ChEBI 59178
PubChem 15736 519514
PubChem: Thomson Pharma 14804037
SureChEMBL SCHEMBL141831

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZQDJSWUEGOYDGT-UHFFFAOYSA-N spacer
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