Compound Detail

CHEMBL260085

Enter ChEMBL ID:

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

COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(N2CCCCC2=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL260085
Phase	Preclinical
Structure Type	MOL
InChI Key	YUPGZDAFRGDBMB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

513.4

MW (Da)

5.42

ALogP

HBA

HBD

100.6

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 10.24

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Coagulation factor X CHEMBL244	Ki	10.24	10.24	0.1	2
Unchecked CHEMBL612545	Ki	9.22	8.995	0.6	2

Parameter	Value	Units	Species
CL	11.67	mL.min-1.kg-1	Canis lupus familiaris
F	44.0	%	Canis lupus familiaris
T1/2	1.5	hr	Canis lupus familiaris

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Coagulation factor X	Ki	=	0.057	nM	10.24	Inhibition of human factor 10a	18424044
Coagulation factor X	Ki	=	0.057	nM	10.24	Inhibition of factor 10a	20503967
Unchecked	Ki	=	0.6	nM	9.22	Inhibition of free prothrombinase	18424044
Unchecked	Ki	=	1.7	nM	8.77	Inhibition of enzyme substrate complex of prothrombinase	18424044

PubMed	DOI	Target Context	# Activities
18424044	10.1016/j.bmcl.2008.03.092	Unchecked	13
18424044	10.1016/j.bmcl.2008.03.092	Canis familiaris	4
18424044	10.1016/j.bmcl.2008.03.092	Oryctolagus cuniculus	4
18424044	10.1016/j.bmcl.2008.03.092	Coagulation factor X	1
18424044	10.1016/j.bmcl.2008.03.092	Plasma	1
18424044	10.1016/j.bmcl.2008.03.092	No relevant target	1
20503967	10.1021/jm100146h	Coagulation factor X	1

Data from ChEMBL 36 via Core Engine