Structure

InChI Key LPRLDRXGWKXRMQ-UHFFFAOYSA-N
Smiles CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl
InChI
InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24ClNO
Molecular Weight 317.86
AlogP 3.89
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 68.46-87.39
Mycobacterium tuberculosis
- - - - 5

Target Conservation

Protein: Histamine H1 receptor

Description: Histamine H1 receptor

Organism : Homo sapiens

P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 31508
ChEMBL CHEMBL1564
FDA SRS G9FU7F1E87
Guide to Pharmacology 7165
KEGG D07862
PubChem 66063
SureChEMBL SCHEMBL212198
ZINC ZINC00056643