NALUZOTAN

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Synonyms
Status
Molecule Category Free-form
UNII LQ54E5B4EW

Structure

InChI Key SPWZXWDPAWDKQE-UHFFFAOYSA-N
Smiles CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1
InChI
InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H38N4O3S
Molecular Weight 450.65
AlogP 3.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 81.75
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1a (5-HT1a) receptor agonist AGONIST PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 21
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
20-93.33 - - 5.1-700 -
Membrane receptor
20-93.33 - - 5.1-700 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 100 -
Homo sapiens
20-93.33 - - 5.1-700 21
Rattus norvegicus
- - - 17-30.2 -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL209821
DrugBank DB05562
FDA SRS LQ54E5B4EW
PubChem 11430856
SureChEMBL SCHEMBL678016
ZINC ZINC000003963096
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