PICLOZOTAN

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Synonyms
Status
Molecule Category Free-form
UNII FQE44HS7AH

Structure

InChI Key URMTUEWUIGOJBW-UHFFFAOYSA-N
Smiles O=C1c2ccccc2OC=C(Cl)N1CCCCN1CC=C(c2ccccn2)CC1
InChI
InChI=1S/C23H24ClN3O2/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20/h1-4,7-10,12,17H,5-6,11,13-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24ClN3O2
Molecular Weight 409.92
AlogP 4.52
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 45.67
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1a (5-HT1a) receptor agonist AGONIST 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 Dopamine receptor
- 84 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 0.47 - - -

Target Conservation

Protein: Serotonin 1a (5-HT1a) receptor
Description: 5-hydroxytryptamine receptor 1A
Organism : Homo sapiens
P08908 ENSG00000178394

Cross References

Resources Reference
ChEMBL CHEMBL345237
DrugBank DB12361
FDA SRS FQE44HS7AH
PubChem 9801640
SureChEMBL SCHEMBL562627
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