Structure

InChI Key KDLHYOMCWBWLMM-UHFFFAOYSA-N
Smiles Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl.O
InChI
InChI=1S/C25H27ClN2.2ClH.H2O/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;;/h2-13,18,25H,14-17,19H2,1H3;2*1H;1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31Cl3N2O
Molecular Weight 481.9
AlogP 5.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 6.48
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Bioactivity

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed DailyMed
Protein: Histamine H1 receptor

Description: Histamine H1 receptor

Organism : Homo sapiens

P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 31805
ChEMBL CHEMBL3989555
FDA SRS HDP7W44CIO
Guide to Pharmacology 2757
KEGG C07116
PubChem 173612
SureChEMBL SCHEMBL743004
ZINC ZINC19594557