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Compound Detail

CHEMBL3912251

ONO-8539
🧪 Phase II
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🧪 Phase II
Cc1cc(C(=O)O)ccc1COc1cc2c(cc1N(CC(C)C)S(=O)(=O)c1nccs1)CCC2

Basic Information

ChEMBL ID CHEMBL3912251
Name ONO-8539
Phase Phase II
Structure Type MOL
InChI Key ALLLQQUASFFEKP-UHFFFAOYSA-N

Known Names

Ono-8539
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
1
Known Names
2
Indications
1
Mechanisms

Molecular Properties

500.6
MW (Da)
5.07
ALogP
6
HBA
1
HBD
96.8
PSA (Ų)
0.44
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C25H28N2O5S2
MW 500.64
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.10

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Prostanoid EP1 receptor antagonist ANTAGONIST Prostaglandin E2 receptor EP1 subtype

Indications

Urinary Bladder, Overactive Gastroesophageal Reflux

Activity Summary

IC50 1 meas. best 8.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP1 subtype
CHEMBL2181
IC50 8.16 8.16 6.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine