ONO-8539

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Search structure


Synonyms	Ono-8539
Status
Molecule Category	Free-form
UNII	94W010PZ1Z

Structure


InChI Key	ALLLQQUASFFEKP-UHFFFAOYSA-N
Smiles	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

Mechanism of Action	Action	Reference
Prostanoid EP1 receptor antagonist	ANTAGONIST	PubMed PubMed

Target Conservation


Protein: Prostanoid EP1 receptor Description: Prostaglandin E2 receptor EP1 subtype Organism : Homo sapiens P34995 ENSG00000160951

Cross References

Resources	Reference
ChEMBL	CHEMBL3912251
DrugBank	DB15325
FDA SRS	94W010PZ1Z
PubChem	23106477
SureChEMBL	SCHEMBL214853

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025