Compound Detail

CHEMBL6053134

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CS(C)(=O)=NC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)Nc4ccc(F)c(Cl)c4)ccc3s2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6053134
Phase	Preclinical
Structure Type	MOL
InChI Key	FNJKPVGIIXWXLW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

532.0

MW (Da)

5.85

ALogP

HBA

HBD

126.5

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 7 meas. best 8.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	8.52	8.02	3.0	3
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.52	8.1025	3.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Platelet-derived growth factor receptor beta	IC50	=	3.0	nM	8.52	Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi...	-
Vascular endothelial growth factor receptor 2	IC50	=	3.0	nM	8.52	Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi...	-
Vascular endothelial growth factor receptor 2	IC50	=	3.0	nM	8.52	VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic...	-
Vascular endothelial growth factor receptor 2	IC50	=	17.0	nM	7.77	Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro...	-
Platelet-derived growth factor receptor beta	IC50	=	17.0	nM	7.77	Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well...	-
Platelet-derived growth factor receptor beta	IC50	=	17.0	nM	7.77	PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we...	-
Vascular endothelial growth factor receptor 2	IC50	=	25.0	nM	7.6	VEGFR2 Cellular Assay: Automated FLIPR (Fluorometric Imaging Plate Reader) techn...	-

Data from ChEMBL 36 via Core Engine