Compound Detail

CHEMBL4203429

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CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CS(C)(=O)=O)c(C(F)(F)F)c2)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4203429
Phase	Preclinical
Structure Type	MOL
InChI Key	BEXCPFCIYIOGDW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

582.6

MW (Da)

5.39

ALogP

HBA

HBD

105.3

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 9.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	9.22	8.815	0.6	2
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.69	7.69	20.6	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	0.6	nM	9.22	Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated...	30034590
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	3.9	nM	8.41	Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA	30034590
Vascular endothelial growth factor receptor 2	IC50	=	20.6	nM	7.69	Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated...	30034590

PubMed	DOI	Target Context	# Activities
30034590	10.1021/acsmedchemlett.8b00035	Proto-oncogene tyrosine-protein kinase receptor Ret	2
30034590	10.1021/acsmedchemlett.8b00035	Vascular endothelial growth factor receptor 2	1

Data from ChEMBL 36 via Core Engine