Compound Detail

CHEMBL576179

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NC(=O)[C@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL576179
Phase	Preclinical
Structure Type	MOL
InChI Key	CGJRRFJDMMUHJW-GFCCVEGCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

352.4

MW (Da)

1.53

ALogP

HBA

HBD

117.2

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.62

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cyclin-dependent kinase 2/cyclin E CHEMBL2094126	IC50	7.62	7.62	24.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	7.37	7.035	43.0	2
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.51	6.51	310.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cyclin-dependent kinase 2/cyclin E	IC50	=	24.0	nM	7.62	Inhibition of CDK2/Cyclin E after 60 mins by fluorescence electrophoresis	19778024
Insulin-like growth factor 1 receptor	IC50	=	43.0	nM	7.37	Tyrosine Kinase Assay: Kinase assay using IGF1-receptor.	-
Insulin-like growth factor 1 receptor	IC50	=	199.0	nM	6.7	Inhibition of IGF1R after 60 mins by fluorescence electrophoresis	19778024
NON-PROTEIN TARGET	IC50	=	310.0	nM	6.51	Antiproliferative activity against mouse Sal cells overexpressing IGF1R assessed...	19778024

PubMed	DOI	Target Context	# Activities
19778024	10.1021/jm900786r	Insulin-like growth factor 1 receptor	1
19778024	10.1021/jm900786r	Cyclin-dependent kinase 2/cyclin E	1
19778024	10.1021/jm900786r	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine