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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL864
CHEMBL864
Compound Name CARBINOXAMINE
ChEMBL Synonyms CLISTIN | KARBINAL ER | CARBINOXAMINE MALEATE | Clistin | DAVENOL | Palgic | CARBINOXAMINE
Max Phase 4 (Approved)
Trade Names DAVENOL | CARBINOXAMINE MALEATE | KARBINAL ER | CLISTIN
Molecular Formula C16H19ClN2O

Additional synonyms for CHEMBL864 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2
Standard InChI InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)1 ...
Download InChI
Standard InChI Key OJFSXZCBGQGRNV-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL864

Molecule Features

CHEMBL864 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:Prescription-only

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov CARBINOXAMINE
The Cochrane Collaboration CARBINOXAMINE

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 CHEMBL864. 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
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL238 Dopamine transporter Homo sapiens 1.000
CHEMBL5076 Histamine H3 receptor Cavia porcellus 0.997
CHEMBL228 Serotonin transporter Homo sapiens 0.997
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.996
CHEMBL222 Norepinephrine transporter Homo sapiens 0.963
CHEMBL338 Dopamine transporter Rattus norvegicus 0.938
CHEMBL313 Serotonin transporter Rattus norvegicus 0.911
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.880
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.871
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.711
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.258



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL238 Dopamine transporter Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 0.998
CHEMBL313 Serotonin transporter Rattus norvegicus 0.998
CHEMBL5076 Histamine H3 receptor Cavia porcellus 0.997
CHEMBL222 Norepinephrine transporter Homo sapiens 0.993
CHEMBL338 Dopamine transporter Rattus norvegicus 0.990
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.990
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.979
CHEMBL5192 Botulinum neurotoxin type A Clostridium botulinum 0.826
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.826
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.405
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.390
CHEMBL3414 Human herpesvirus 5 DNA polymerase Human cytomegalovirus (strain AD169) (HHV-5) (Human herpesvirus 5) 0.242
CHEMBL3423 Methionine aminopeptidase Escherichia coli K-12 0.235

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
290.8 290.1186 3.4 6 25.36 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.65 2.69 1.42 2 20 0.82

Structural Alerts

There are no structural alerts for CHEMBL864

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R06 - ANTIHISTAMINES FOR SYSTEMIC USE
R06A - ANTIHISTAMINES FOR SYSTEMIC USE
R06AA - Aminoalkyl ethers
R06AA08 - carbinoxamine

ChemSpider ChemSpider:OJFSXZCBGQGRNV-UHFFFAOYSA-N
DailyMed carbinoxamine maleate
PubChem SID: 29217899
Wikipedia Carbinoxamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL864



ACToR 486-16-8
BindingDB 81464
ChEBI 3398
DrugBank DB00748
DrugCentral 499
eMolecules 1985937
EPA CompTox Dashboard DTXSID4022737
Guide to Pharmacology 7139
Human Metabolome Database HMDB0014886
IBM Patent System 8B1CC8DB9825FC8398E582BFFF681909
KEGG Ligand C06871
LINCS LSM-1435
MolPort MolPort-006-111-418
Nikkaji J7.994D J6.006B
PharmGKB PA164746898
PubChem 2564
PubChem: Thomson Pharma 16888880
SureChEMBL SCHEMBL5070

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