Compound Detail

CHEMBL257658

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CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL257658
Phase	Preclinical
Structure Type	MOL
InChI Key	GNFGAVCXKPDIDD-QUJGQYFQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

387.5

MW (Da)

4.05

ALogP

HBA

HBD

77.8

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 8.52

Ki 2 meas. best 8.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin E2 receptor EP4 subtype CHEMBL1836	EC50	8.52	8.52	3.0	1
Prostaglandin E2 receptor EP4 subtype CHEMBL1836	Ki	8.05	8.05	9.0	1
Prostaglandin E2 receptor EP2 subtype CHEMBL1881	EC50	7.72	7.72	19.0	1
Prostaglandin E2 receptor EP2 subtype CHEMBL1881	Ki	6.85	6.85	141.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin E2 receptor EP4 subtype	EC50	=	3.0	nM	8.52	Agonist activity at human EP4 receptor by cAMP assay	18039575
Prostaglandin E2 receptor EP4 subtype	Ki	=	9.0	nM	8.05	Displacement of [3H]PGE4 from human EP4 receptor	18039575
Prostaglandin E2 receptor EP2 subtype	EC50	=	19.0	nM	7.72	Agonist activity at human EP2 receptor by cAMP assay	18039575
Prostaglandin E2 receptor EP2 subtype	Ki	=	141.0	nM	6.85	Displacement of [3H]PGE2 from human EP2 receptor	18039575

PubMed	DOI	Target Context	# Activities
18039575	10.1016/j.bmcl.2007.11.020	Prostaglandin E2 receptor EP2 subtype	2
18039575	10.1016/j.bmcl.2007.11.020	Prostaglandin E2 receptor EP4 subtype	2
18039575	10.1016/j.bmcl.2007.11.020	Mus musculus	2

Data from ChEMBL 36 via Core Engine