PITOLISANT

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Synonyms
Status
Molecule Category Free-form
ATC N07XX11
UNII 4BC83L4PIY

Structure

InChI Key NNACHAUCXXVJSP-UHFFFAOYSA-N
Smiles 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
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 PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 3.04-55.72
Enzyme Oxidoreductase
- - - - 2-9
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
1.5 12 5.623 0.16-30 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
1.5 - 5.623 0.16-0.16 -
Electrophorus electricus
- - - - 3.04
Equus caballus
- - - - 55.72
Homo sapiens
- 12 - 0.16-30 2-9
Mus musculus
- - - 14 -
Rattus norvegicus
- - - 17-17 87-87.4

Target Conservation

Protein: Histamine H3 receptor
Description: Histamine H3 receptor
Organism : Homo sapiens
Q9Y5N1 ENSG00000101180

Cross References

Resources Reference
ChEBI 134709
ChEMBL CHEMBL462605
DrugBank DB11642
DrugCentral 5048
FDA SRS 4BC83L4PIY
Guide to Pharmacology 8924
PubChem 9948102
SureChEMBL SCHEMBL117648
ZINC ZINC000034045468
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