Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII YV33CH63HI
EPA CompTox DTXSID50238098
Parent Compound: PITOLISANT

Structure

InChI Key XLFKECRRMPOAQS-UHFFFAOYSA-N
Smiles Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1
InChI
InChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H27Cl2NO
Molecular Weight 332.32
AlogP 4.17
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Histamine H3 receptor inverse agonist INVERSE AGONIST FDA PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 27.6 -

Target Conservation

Protein: Histamine H3 receptor

Description: Histamine H3 receptor

Organism : Homo sapiens

Q9Y5N1 ENSG00000101180

Cross References

Resources Reference
ChEMBL CHEMBL4164059
FDA SRS YV33CH63HI
PubChem 11551689
SureChEMBL SCHEMBL4591893