CERLAPIRDINE

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Synonyms
Status
Molecule Category Free-form
UNII EK40PJ0V49

Structure

InChI Key NXQGEDVQXVTCDA-UHFFFAOYSA-N
Smiles CN(C)CCCOc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1
InChI
InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23N3O3S
Molecular Weight 409.51
AlogP 3.88
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 75.29
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 6 (5-HT6) receptor antagonist ANTAGONIST 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 Serotonin receptor
- - - 1.3-1.3 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 1.3-1.3 -

Target Conservation

Protein: Serotonin 6 (5-HT6) receptor
Description: 5-hydroxytryptamine receptor 6
Organism : Homo sapiens
P50406 ENSG00000158748

Cross References

Resources Reference
ChEMBL CHEMBL2103880
DrugBank DB12229
FDA SRS EK40PJ0V49
Guide to Pharmacology 7356
PubChem 16071605
SureChEMBL SCHEMBL3534330
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