Compound Detail

CHEMBL2089254

Enter ChEMBL ID:

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

CCOc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2089254
Phase	Preclinical
Structure Type	MOL
InChI Key	JUNWGTQNFTURHK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

297.3

MW (Da)

1.78

ALogP

HBA

HBD

127.0

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Small ribosomal subunit protein eS27 CHEMBL1932893	IC50	7.43	6.59	37.0	2
Mitogen-activated protein kinase 8 CHEMBL2276	IC50	6.72	6.72	190.0	1
A549 CHEMBL392	IC50	5.02	5.02	9500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Small ribosomal subunit protein eS27	IC50	=	37.0	nM	7.43	Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA ass...	24900510
Mitogen-activated protein kinase 8	IC50	=	190.0	nM	6.72	Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA	24900510
Small ribosomal subunit protein eS27	IC50	=	1800.0	nM	5.75	Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells exp...	24900510
A549	IC50	=	9500.0	nM	5.02	Antiproliferative activity against human A549 cells after 72 hrs by WST8 assay	24900510

PubMed	DOI	Target Context	# Activities
24900510	10.1021/ml3000879	Small ribosomal subunit protein eS27	2
24900510	10.1021/ml3000879	Mitogen-activated protein kinase 8	1
24900510	10.1021/ml3000879	A549	1

Data from ChEMBL 36 via Core Engine