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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200638
CHEMBL1200638
Compound Name DEXBROMPHENIRAMINE MALEATE
ChEMBL Synonyms DEXBROMPHENIRAMINE MALEATE | DISOMER | Dexbrompheniramine fumarate
Max Phase 4 (Approved)
Trade Names DISOMER
Molecular Formula C20H23BrN2O4

Additional synonyms for CHEMBL1200638 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CC[C@@H](c1ccc(Br)cc1)c2ccccn2.OC(=O)\C=C/C(=O)O
Standard InChI InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-1 ...
Download InChI
Standard InChI Key SRGKFVAASLQVBO-DASCVMRKSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200638

Molecule Features

CHEMBL1200638 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Over-The-Counter

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov DEXBROMPHENIRAMINE MALEATE
The Cochrane Collaboration DEXBROMPHENIRAMINE MALEATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200638. 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
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.998
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.989
CHEMBL231 Histamine H1 receptor Homo sapiens 0.944
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.359

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.967
CHEMBL231 Histamine H1 receptor Homo sapiens 0.928
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.921
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.476
CHEMBL5076 Histamine H3 receptor Cavia porcellus 0.372
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.316

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
319.3 318.0732 3.93 5 16.13 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
- 9.33 3.24 1.3 2 19 0.83

Structural Alerts

There are 2 structural alerts for CHEMBL1200638. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SRGKFVAASLQVBO-DASCVMRKSA-N
PubChem SID: 144205553 SID: 170465028 SID: 49681545 SID: 50105972

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200638



ACToR 2391-03-9
ChEBI 59273
EPA CompTox Dashboard DTXSID6047818
FDA SRS BPA9UT29BS
NIH Clinical Collection SAM001246556
PubChem 6433334
PubChem: Thomson Pharma 14930210
SureChEMBL SCHEMBL217770

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