Compound Detail

CHEMBL2401993

Enter ChEMBL ID:

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

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(=O)N(C)C)cc2)s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2401993
Phase	Preclinical
Structure Type	MOL
InChI Key	UKKGLZFUGQGJSZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

447.6

MW (Da)

4.57

ALogP

HBA

HBD

78.5

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.42

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitogen-activated protein kinase 14 CHEMBL260	IC50	8.42	8.42	3.8	1
MAP kinase p38 CHEMBL2094115	IC50	6.51	6.51	306.0	1
Mitogen-activated protein kinase 11 CHEMBL3961	IC50	6.36	6.36	441.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitogen-activated protein kinase 14	IC50	=	3.8	nM	8.42	Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrat...	23746475
MAP kinase p38	IC50	=	306.0	nM	6.51	Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human PBMC pr...	23746475
Mitogen-activated protein kinase 11	IC50	=	441.0	nM	6.36	Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate...	23746475

PubMed	DOI	Target Context	# Activities
23746475	10.1016/j.bmcl.2013.05.047	Mitogen-activated protein kinase 11	1
23746475	10.1016/j.bmcl.2013.05.047	MAP kinase p38	1
23746475	10.1016/j.bmcl.2013.05.047	Unchecked	1
23746475	10.1016/j.bmcl.2013.05.047	Mitogen-activated protein kinase 14	1

Data from ChEMBL 36 via Core Engine