Compound Detail

CHEMBL1929526

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COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1929526
Phase	Preclinical
Structure Type	MOL
InChI Key	ASGXLBAYRUCXJB-RWDVLYHFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

403.5

MW (Da)

3.32

ALogP

HBA

HBD

87.1

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 1 meas. best 7.82

Ki 1 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin E2 receptor EP4 subtype CHEMBL2489	Ki	8.0	8.0	10.0	1
Prostaglandin E2 receptor EP4 subtype CHEMBL4086	EC50	7.82	7.82	15.0	1

Parameter	Value	Units	Species
CL	35.0	mL.min-1.kg-1	Rattus norvegicus
F	1.2	%	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin E2 receptor EP4 subtype	Ki	=	10.0	nM	8.0	Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 6...	22204740
Prostaglandin E2 receptor EP4 subtype	EC50	=	15.0	nM	7.82	Agonist activity at rat EP4 receptor expressed in CHO cells assessed as cAMP pro...	22204740

PubMed	DOI	Target Context	# Activities
22204740	10.1016/j.bmc.2011.12.009	Rattus norvegicus	6
22204740	10.1016/j.bmc.2011.12.009	Prostaglandin E2 receptor EP4 subtype	2
22204740	10.1016/j.bmc.2011.12.009	Prostaglandin E2 receptor EP1 subtype	1
22204740	10.1016/j.bmc.2011.12.009	Prostaglandin E2 receptor EP2 subtype	1
22204740	10.1016/j.bmc.2011.12.009	Prostaglandin E2 receptor EP3 subtype	1

Data from ChEMBL 36 via Core Engine