Compound Detail

CHEMBL248286

Enter ChEMBL ID:

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

CN(C)CCOc1ccc(-c2oc3ncnc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL248286
Phase	Preclinical
Structure Type	MOL
InChI Key	HMYOERVFCVBIDK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

486.6

MW (Da)

3.81

ALogP

HBA

HBD

78.7

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase Lck CHEMBL258	IC50	7.85	7.85	14.0	1
Activated CDC42 kinase 1 CHEMBL4599	IC50	6.83	6.83	148.0	1
T-cell CHEMBL614309	IC50	6.44	6.385	360.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase Lck	IC50	=	14.0	nM	7.85	Inhibition of Lck	17280833
Activated CDC42 kinase 1	IC50	=	148.0	nM	6.83	Inhibition of Ack1	17280833
T-cell	IC50	=	360.0	nM	6.44	Inhibition of T cell activation in human mixed lymphocyte reaction	17280833
T-cell	IC50	=	468.0	nM	6.33	Inhibition of anti-CD3/CD28-induced IL2 secretion in human T cells	17280833

PubMed	DOI	Target Context	# Activities
17280833	10.1016/j.bmcl.2007.01.057	T-cell	2
17280833	10.1016/j.bmcl.2007.01.057	Activated CDC42 kinase 1	1
17280833	10.1016/j.bmcl.2007.01.057	Tyrosine-protein kinase Lck	1

Data from ChEMBL 36 via Core Engine