PIBOSEROD

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Synonyms
Status
Molecule Category Free-form
UNII 4UQ3S81B25
EPA CompTox DTXSID60165129

Structure

InChI Key KVCSJPATKXABRQ-UHFFFAOYSA-N
Smiles CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1
InChI
InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H31N3O2
Molecular Weight 369.51
AlogP 3.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 46.5
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 4 (5-HT4) receptor antagonist ANTAGONIST ClinicalTrials PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 67
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 0.631 - 0.05248-1.585 73-97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 0.631 - 0.5012-1.585 -
Homo sapiens
- - - 0.05248-1.585 67-97

Target Conservation

Protein: Serotonin 4 (5-HT4) receptor
Description: 5-hydroxytryptamine receptor 4
Organism : Homo sapiens
Q13639 ENSG00000164270

Cross References

Resources Reference
ChEMBL CHEMBL356359
DrugBank DB04873
FDA SRS 4UQ3S81B25
Guide to Pharmacology 225
PubChem 177336
SureChEMBL SCHEMBL467339
ZINC ZINC000001537633
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