Structure

InChI Key ZPMVNZLARAEGHB-UHFFFAOYSA-N
Smiles CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl
InChI
InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22ClN
Molecular Weight 323.87
AlogP 4.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST ISBN
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 23-93

Target Conservation

Protein: Histamine H1 receptor

Description: Histamine H1 receptor

Organism : Homo sapiens

P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 59695
ChEMBL CHEMBL1716
FDA SRS 0S9323MCT0
Guide to Pharmacology 277
KEGG C06935
PubChem 11954233
SureChEMBL SCHEMBL41842
ZINC ZINC00968264