Compound Detail

CHEMBL1762176

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CNc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1762176
Phase	Preclinical
Structure Type	MOL
InChI Key	JCQXXRQZZUXOPX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

424.4

MW (Da)

4.48

ALogP

HBA

HBD

65.5

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.37

Kd 1 meas. best 6.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	7.37	6.9233	43.0	3
MEF CHEMBL614342	IC50	6.51	6.51	312.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	Kd	6.43	6.43	369.7	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Insulin-like growth factor 1 receptor	IC50	=	43.0	nM	7.37	Inhibition of autophosphosphorylation of human IGF1R expressed in IGF1-stimulate...	21441024
Insulin-like growth factor 1 receptor	IC50	=	202.0	nM	6.7	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expr...	21441024
Insulin-like growth factor 1 receptor	IC50	=	202.0	nM	6.7	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expr...	21441024
MEF	IC50	=	312.0	nM	6.51	Antiproliferative activity against mouse MEF cells transfected with human IGF1R ...	21441024
Insulin-like growth factor 1 receptor	Kd	=	369.67	nM	6.43	IGF1R diphosphorilated was immobilized on a Biacore CM5 chip at 25 degrees C wit...	-

PubMed	DOI	Target Context	# Activities
21441024	10.1016/j.bmcl.2011.03.003	Insulin-like growth factor 1 receptor	3
-	10.6019/CHEMBL3885741	Insulin-like growth factor 1 receptor	3
21441024	10.1016/j.bmcl.2011.03.003	MEF	1
21441024	10.1016/j.bmcl.2011.03.003	No relevant target	1

Data from ChEMBL 36 via Core Engine