Compound Detail

CHEMBL203780

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O=C(O)CCCCCCN1C(=O)CC[C@@H]1CCC(O)Cc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL203780
Phase	Preclinical
Structure Type	MOL
InChI Key	WMEUGWYECRHASZ-OYKVQYDMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

361.5

MW (Da)

3.40

ALogP

HBA

HBD

77.8

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 1 meas. best 7.49

IC50 1 meas. best 7.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin E2 receptor EP4 subtype CHEMBL4086	EC50	7.49	7.49	32.5	1
Prostaglandin E2 receptor EP4 subtype CHEMBL4086	IC50	7.27	7.27	54.0	1

Parameter	Value	Units	Species
CL	101.0	mL.min-1.kg-1	Rattus norvegicus
F	21.0	%	Rattus norvegicus
T1/2	0.45	hr	Rattus norvegicus
T1/2	0.1	hr	Rattus norvegicus
T1/2	0.35	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin E2 receptor EP4 subtype	EC50	=	32.5	nM	7.49	Activity at rat EP4 transfected in HEK293 cells by cAMP accumulation	16442794
Prostaglandin E2 receptor EP4 subtype	IC50	=	54.0	nM	7.27	Binding affinity to rat EP4 receptor expressed in HEK293 cells	16442794

PubMed	DOI	Target Context	# Activities
16442794	10.1016/j.bmcl.2006.01.018	Rattus norvegicus	6
16442794	10.1016/j.bmcl.2006.01.018	Prostaglandin E2 receptor EP4 subtype	3
16442794	10.1016/j.bmcl.2006.01.018	Prostaglandin E2 receptor EP1 subtype	1
16442794	10.1016/j.bmcl.2006.01.018	Prostaglandin E2 receptor EP2 subtype	1
16442794	10.1016/j.bmcl.2006.01.018	Prostaglandin E2 receptor EP3 subtype	1

Data from ChEMBL 36 via Core Engine