Compound Detail

CHEMBL1762179

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CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(N)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1762179
Phase	Preclinical
Structure Type	MOL
InChI Key	SPKNFLLCBPBCIV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

410.4

MW (Da)

4.02

ALogP

HBA

HBD

79.5

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	7.47	7.1833	34.0	3
MEF CHEMBL614342	IC50	7.01	7.01	97.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Insulin-like growth factor 1 receptor	IC50	=	34.0	nM	7.47	Inhibition of autophosphosphorylation of human IGF1R expressed in IGF1-stimulate...	21441024
Insulin-like growth factor 1 receptor	IC50	=	92.0	nM	7.04	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expr...	21441024
Insulin-like growth factor 1 receptor	IC50	=	92.0	nM	7.04	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expr...	21441024
MEF	IC50	=	97.0	nM	7.01	Antiproliferative activity against mouse MEF cells transfected with human IGF1R ...	21441024

PubMed	DOI	Target Context	# Activities
21441024	10.1016/j.bmcl.2011.03.003	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