Compound Detail

CHEMBL1092013

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)cc1-c1cc2cnn(-c3ccccc3F)c2n(C)c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1092013
Phase	Preclinical
Structure Type	MOL
InChI Key	GYWNOAVEKDTRBQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

416.5

MW (Da)

3.73

ALogP

HBA

HBD

68.9

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Kd 4 meas. best 9.74

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitogen-activated protein kinase 14 CHEMBL260	Kd	9.74	9.74	0.2	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Kd	5.77	5.77	1700.0	1
Tyrosine-protein kinase Lck CHEMBL258	Kd	4.4	4.4	40000.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Kd	4.4	4.4	40000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitogen-activated protein kinase 14	Kd	=	0.18	nM	9.74	Binding affinity to p38alpha by scintillation proximity assay	20218619
Mast/stem cell growth factor receptor Kit	Kd	=	1700.0	nM	5.77	Binding affinity to c-Kit by scintillation proximity assay	20218619
Vascular endothelial growth factor receptor 2	Kd	=	40000.0	nM	4.4	Binding affinity to Kdr by scintillation proximity assay	20218619
Tyrosine-protein kinase Lck	Kd	=	40000.0	nM	4.4	Binding affinity to Lck by scintillation proximity assay	20218619

PubMed	DOI	Target Context	# Activities
20218619	10.1021/jm100095x	Mitogen-activated protein kinase 14	1
20218619	10.1021/jm100095x	Vascular endothelial growth factor receptor 2	1
20218619	10.1021/jm100095x	Tyrosine-protein kinase Lck	1
20218619	10.1021/jm100095x	Mast/stem cell growth factor receptor Kit	1

Data from ChEMBL 36 via Core Engine