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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24441
CHEMBL24441
Compound Name BETAHISTINE
ChEMBL Synonyms BETAHISTINE MESILATE | PT-9 | BETAHISTINE HYDROCHLORIDE | SERC | BETAHISTINE
Max Phase 4 (Approved)
Trade Names SERC
Molecular Formula C8H12N2

Additional synonyms for CHEMBL24441 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCCc1ccccn1
Standard InChI InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3
Standard InChI Key UUQMNUMQCIQDMZ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL24441

Molecule Features

CHEMBL24441 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ATTENTION DEFICIT DISORDER WITH HYPERACTIVITYD001289EFO:0003888ATTENTION DEFICIT HYPERACTIVITY DISORDER1ClinicalTrials

Clinical Data

ClinicalTrials.gov BETAHISTINE
The Cochrane Collaboration BETAHISTINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
136.2 136.1 0.68 3 24.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.75 -.02 -2.45 1 10 0.66

Structural Alerts

There are no structural alerts for CHEMBL24441

Compound Cross References

ATC N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07C - ANTIVERTIGO PREPARATIONS
N07CA - Antivertigo preparations
N07CA01 - betahistine

ChemSpider ChemSpider:UUQMNUMQCIQDMZ-UHFFFAOYSA-N
Wikipedia Betahistine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24441



ACToR 5638-76-6
BindingDB 96589
ChEBI 35677
DrugBank DB06698
DrugCentral 346
eMolecules 591762
EPA CompTox Dashboard DTXSID3022665
FDA SRS X32KK4201D
Human Metabolome Database HMDB0015644
IBM Patent System 725F6E5FEA8A30691424C29B788F84DF
LINCS LSM-4044
Mcule MCULE-3539516594
MolPort MolPort-000-142-007
Nikkaji J8.042J
PharmGKB PA165958372
PubChem 2366
PubChem: Thomson Pharma 15119994
SureChEMBL SCHEMBL125582
ZINC ZINC000001675415

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