ONO-8539

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Synonyms:	Ono-8539
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	PubMed PubMed

Indications

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

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Cross References

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

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