VAPITADINE DIHYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII R612XR8A9F
EPA CompTox DTXSID20182211

Structure

InChI Key BOYLPLUVCXUHDJ-UHFFFAOYSA-N
Smiles Cl.Cl.NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1
InChI
InChI=1S/C17H20N4O.2ClH/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16;;/h1-4,11,19H,5-10H2,(H2,18,22);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22Cl2N4O
Molecular Weight 369.3
AlogP 1.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 72.94
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 19 -

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

Resources Reference
ChEMBL CHEMBL539843
FDA SRS R612XR8A9F
PubChem 9842251
SureChEMBL SCHEMBL3463472
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