Compound Detail

CHEMBL272276

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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL272276
Phase	Preclinical
Structure Type	MOL
InChI Key	IIIZQYRMSFTVQP-RWDVLYHFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

379.5

MW (Da)

3.08

ALogP

HBA

HBD

77.8

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 10.52

Ki 2 meas. best 10.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin E2 receptor EP4 subtype CHEMBL1836	EC50	10.52	10.52	0.0	1
Prostaglandin E2 receptor EP4 subtype CHEMBL1836	Ki	10.3	10.3	0.1	1
Prostaglandin E2 receptor EP2 subtype CHEMBL1881	EC50	6.36	6.36	434.0	1
Prostaglandin E2 receptor EP2 subtype CHEMBL1881	Ki	5.59	5.59	2540.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin E2 receptor EP4 subtype	EC50	=	0.03	nM	10.52	Agonist activity at human EP4 receptor by cAMP assay	18039575
Prostaglandin E2 receptor EP4 subtype	Ki	=	0.05	nM	10.3	Displacement of [3H]PGE4 from human EP4 receptor	18039575
Prostaglandin E2 receptor EP2 subtype	EC50	=	434.0	nM	6.36	Agonist activity at human EP2 receptor by cAMP assay	18039575
Prostaglandin E2 receptor EP2 subtype	Ki	=	2540.0	nM	5.59	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