Compound Detail

CHEMBL2177219

Enter ChEMBL ID:

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

O=C(Nc1cc(Nc2ccc3c(c2)CCCCC3=O)ccc1F)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2177219
Phase	Preclinical
Structure Type	MOL
InChI Key	ATBLOTYVKHVLPU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

388.4

MW (Da)

5.73

ALogP

HBA

HBD

58.2

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.46

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitogen-activated protein kinase 14 CHEMBL260	IC50	7.46	7.46	35.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitogen-activated protein kinase 14	IC50	=	35.0	nM	7.46	Inhibition of MAP kinase p38alpha assessed as phosphorylation of ATF-2	22897496
Mitogen-activated protein kinase 14	IC50	=	35.0	nM	7.46	Inhibition of P38alpha MAPK (unknown origin)	31445234

PubMed	DOI	Target Context	# Activities
34818008	10.1021/acs.jmedchem.1c01173	Unchecked	2
22897496	10.1021/jm300951u	Mitogen-activated protein kinase 11	1
22897496	10.1021/jm300951u	STE20-like serine/threonine-protein kinase	1
22897496	10.1021/jm300951u	Casein kinase I isoform epsilon	1
22897496	10.1021/jm300951u	Casein kinase I isoform delta	1
22897496	10.1021/jm300951u	Calcium/calmodulin-dependent protein kinase type II subunit delta	1
22897496	10.1021/jm300951u	Mitogen-activated protein kinase 14	1
31445234	10.1016/j.ejmech.2019.111624	Mitogen-activated protein kinase 14	1

Data from ChEMBL 36 via Core Engine