Compound Detail

CHEMBL362851

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL362851
Phase	Preclinical
Structure Type	MOL
InChI Key	CZCMZYYRRYEIHW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

421.9

MW (Da)

6.41

ALogP

HBA

HBD

59.4

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 8.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin E2 receptor EP1 subtype CHEMBL1811	Ki	8.22	7.385	6.0	2
Prostaglandin E2 receptor EP1 subtype CHEMBL5068	Ki	7.92	7.92	12.0	1
Thromboxane A2 receptor CHEMBL2069	Ki	6.85	6.85	140.0	1

Parameter	Value	Units	Species
Cmax	20000.0	nM	Rattus norvegicus
F	73.0	%	Rattus norvegicus
T1/2	4.0	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin E2 receptor EP1 subtype	Ki	=	6.0	nM	8.22	Binding affinity against Prostaglandin E receptor was determined in human	15686932
Prostaglandin E2 receptor EP1 subtype	Ki	=	12.0	nM	7.92	Binding affinity towards Prostaglandin E receptor was determined in rat	15686932
Thromboxane A2 receptor	Ki	=	140.0	nM	6.85	Binding affinity against human Prostanoid TP receptor	15686932
Prostaglandin E2 receptor EP1 subtype	Ki	=	280.0	nM	6.55	Binding affinity against Prostaglandin E receptor in presence of 2% human serum ...	15686932

PubMed	DOI	Target Context	# Activities
15686932	10.1016/j.bmcl.2004.12.005	Prostaglandin E2 receptor EP1 subtype	4
15686932	10.1016/j.bmcl.2004.12.005	ADMET	3
15686932	10.1016/j.bmcl.2004.12.005	Thromboxane A2 receptor	1

Data from ChEMBL 36 via Core Engine