PRX-03140

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Synonyms
Status
Molecule Category Free-form
UNII 7QGN8QXG7I
EPA CompTox DTXSID90236013

Structure

InChI Key SCHKZZSVELPJKU-UHFFFAOYSA-N
Smiles CC(C)n1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccsc21
InChI
InChI=1S/C19H27N3O3S/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H27N3O3S
Molecular Weight 377.51
AlogP 2.96
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 74.57
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 4 (5-HT4) receptor partial agonist PARTIAL AGONIST PubMed 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 Serotonin receptor
17-58 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
17-58 - - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL3306918
DrugBank DB05596
FDA SRS 7QGN8QXG7I
PubChem 54677674
SureChEMBL SCHEMBL2205618
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