ONO-8539

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 94W010PZ1Z

Structure
InChI Key ALLLQQUASFFEKP-UHFFFAOYSA-N
Smile Cc1cc(C(=O)O)ccc1COc1cc2c(cc1N(CC(C)C)S(=O)(=O)c1nccs1)CCC2
InChI
InChI=1S/C25H28N2O5S2/c1-16(2)14-27(34(30,31)25-26-9-10-33-25)22-12-18-5-4-6-19(18)13-23(22)32-15-21-8-7-20(24(28)29)11-17(21)3/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H28N2O5S2
Molecular Weight 500.64
AlogP 5.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 96.8
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Prostanoid EP1 receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
- 6.9 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Overactive 2 D053201 ClinicalTrials
Gastroesophageal Reflux 1 D005764 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 459842-29-6
ChEMBL CHEMBL3912251
DrugBank DB15325
FDA SRS 94W010PZ1Z
PubChem 23106477
SureChEMBL SCHEMBL214853
CONTENTS