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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL22108
CHEMBL22108
Compound Name DIMETHINDENE
ChEMBL Synonyms FORHISTAL MALEATE | FENOSTIL | DIMETINDENE MALEATE | SU-6518 | DIMETHINDENE MALEATE | DIMETINDENE
Max Phase 4 (Approved)
Trade Names FENOSTIL | FORHISTAL MALEATE
Molecular Formula C20H24N2

Additional synonyms for CHEMBL22108 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C1=C(CCN(C)C)Cc2ccccc12)c3ccccn3
Standard InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2) ...
Download InChI
Standard InChI Key MVMQESMQSYOVGV-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL22108

Molecule Features

CHEMBL22108 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Arrhythmias, CardiacD001145EFO:0004269cardiac arrhythmia1ClinicalTrials
PruritusD011537HP:0000989Pruritus4ATC

Clinical Data

ClinicalTrials.gov DIMETHINDENE
The Cochrane Collaboration DIMETHINDENE

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 CHEMBL22108. 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
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 1.000
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 1.000
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.708
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.672
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.328



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 1.000
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.999
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.997
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.947
CHEMBL240 HERG Homo sapiens 0.887
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.845
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.380
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.321
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.303
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.221

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
292.4 292.1939 4.15 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
- 9.58 3.85 1.71 2 22 0.82

Structural Alerts

There are no structural alerts for CHEMBL22108

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R06 - ANTIHISTAMINES FOR SYSTEMIC USE
R06A - ANTIHISTAMINES FOR SYSTEMIC USE
R06AB - Substituted alkylamines
R06AB03 - dimetindene

D - DERMATOLOGICALS
D04 - ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04A - ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04AA - Antihistamines for topical use
D04AA13 - dimetindene

ChemSpider ChemSpider:MVMQESMQSYOVGV-UHFFFAOYSA-N
Wikipedia Dimetindene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22108



ACToR 5636-83-9
BindingDB 81452
ChEBI 135222
DrugBank DB08801
DrugCentral 903
EPA CompTox Dashboard DTXSID9022942
Human Metabolome Database HMDB0015691
IBM Patent System CCF8A087F00D64B55F2D8F579083DFEF
Nikkaji J8.041A
PubChem 21855
PubChem: Thomson Pharma 16889015
SureChEMBL SCHEMBL18759

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