PITOLISANT

Search structure
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N07XX11
UNII: 4BC83L4PIY

Structure
InChI Key NNACHAUCXXVJSP-UHFFFAOYSA-N
Smile Clc1ccc(CCCOCCCN2CCCCC2)cc1
InChI
InChI=1S/C17H26ClNO/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26ClNO
Molecular Weight 295.85
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
Primary Target
H3 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 8400-8420 - - 3.04
Enzyme Oxidoreductase
- - - - 2
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 4.84-7.61
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 1700 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
1.5-8 12-375 5.623 0.16-13400 99.8
Membrane receptor
1.5-8 12-375 5.623 0.16-13400 99.8
Other membrane protein
- - - 0.5 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 3 D010300 ClinicalTrials
Narcolepsy 3 D009290 ClinicalTrials
Idiopathic Hypersomnia 3 D020177 ClinicalTrials
Narcolepsy 3 D009290 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Alcoholism 2 D000437 ClinicalTrials
Prader-Willi Syndrome 2 D011218 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 362665-56-3
ChEBI 134709
ChEMBL CHEMBL462605
DrugBank DB11642
DrugCentral 5048
FDA SRS 4BC83L4PIY
Guide to Pharmacology 8924
PubChem 9948102
SureChEMBL SCHEMBL117648
ZINC ZINC000034045468
CONTENTS