PITOLISANT HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: Salt
UNII: YV33CH63HI
Parent Compound: PITOLISANT

Structure
InChI Key XLFKECRRMPOAQS-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INVERSE AGONIST Histamine H3 receptor inverse agonist FDA PubMed PubMed
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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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Narcolepsy 4 D009290 FDA
Disorders of Excessive Somnolence 4 D006970 FDA

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL4164059
EPA CompTox DTXSID50238098
FDA SRS YV33CH63HI
PubChem 11551689
SureChEMBL SCHEMBL4591893
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