Compound Detail

CHEMBL4206308

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CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4206308
Phase	Preclinical
Structure Type	MOL
InChI Key	CMGWPZPIBTZFRI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

434.4

MW (Da)

4.78

ALogP

HBA

HBD

71.2

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	8.77	7.19	1.7	4
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.16	7.16	68.5	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	1.7	nM	8.77	Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated...	30034590
Vascular endothelial growth factor receptor 2	IC50	=	68.5	nM	7.16	Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated...	30034590
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	111.1	nM	6.95	Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA	30034590
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	300.0	nM	6.52	Enzymatic Assay: Human RET kinase cytoplasmic domain (amino acids 658-1114 of ac...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	300.0	nM	6.52	Enzymatic Assay: Human RET kinase cytoplasmic domain (amino acids 658-1114 of ac...	-

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