Compound Detail

CHEMBL249136

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CCCCCC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL249136
Phase	Preclinical
Structure Type	MOL
InChI Key	PAVYSSGJRYCIIJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

362.5

MW (Da)

2.71

ALogP

HBA

HBD

81.1

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 8.3

Ki 2 meas. best 6.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin E2 receptor EP4 subtype CHEMBL1836	EC50	8.3	8.3	5.0	1
Prostaglandin E2 receptor EP4 subtype CHEMBL1836	Ki	6.6	6.6	250.0	1
Prostaglandin E2 receptor EP2 subtype CHEMBL1881	EC50	6.22	6.22	595.0	1
Prostaglandin E2 receptor EP2 subtype CHEMBL1881	Ki	5.66	5.66	2200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin E2 receptor EP4 subtype	EC50	=	5.0	nM	8.3	Agonist activity at human prostaglandin EP4 receptor	17931866
Prostaglandin E2 receptor EP4 subtype	Ki	=	250.0	nM	6.6	Binding affinity at human prostaglandin EP4 receptor	17931866
Prostaglandin E2 receptor EP2 subtype	EC50	=	595.0	nM	6.22	Agonist activity at human prostaglandin EP2 receptor	17931866
Prostaglandin E2 receptor EP2 subtype	Ki	=	2200.0	nM	5.66	Binding affinity at human prostaglandin EP2 receptor	17931866

PubMed	DOI	Target Context	# Activities
17931866	10.1016/j.bmcl.2007.09.074	Prostaglandin E2 receptor EP2 subtype	2
17931866	10.1016/j.bmcl.2007.09.074	Prostaglandin E2 receptor EP4 subtype	2
17931866	10.1016/j.bmcl.2007.09.074	Unchecked	1

Data from ChEMBL 36 via Core Engine