VAPITADINE DIHYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R612XR8A9F

Structure
InChI Key BOYLPLUVCXUHDJ-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor 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
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL539843
EPA CompTox DTXSID20182211
FDA SRS R612XR8A9F
PubChem 9842251
SureChEMBL SCHEMBL3463472
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