Compound Detail

CHEMBL5833031

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COC(=O)c1cnc(N)c(-c2cc3cc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)ccc3s2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5833031
Phase	Preclinical
Structure Type	MOL
InChI Key	LSCATNNDFBVKMR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

504.5

MW (Da)

6.13

ALogP

HBA

HBD

106.3

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 7 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	8.0	7.7467	10.0	3
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.0	7.885	10.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Platelet-derived growth factor receptor beta	IC50	=	10.0	nM	8.0	Biochemical Assay: Biochemical PDGFRβ kinase assays were performed in 96 well mi...	-
Vascular endothelial growth factor receptor 2	IC50	=	10.0	nM	8.0	Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi...	-
Vascular endothelial growth factor receptor 2	IC50	=	10.0	nM	8.0	VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic...	-
Vascular endothelial growth factor receptor 2	IC50	=	12.0	nM	7.92	VEGFR2 Cellular Assay: Automated FLIPR (Fluorometric Imaging Plate Reader) techn...	-
Vascular endothelial growth factor receptor 2	IC50	=	24.0	nM	7.62	Biochemical Assay: Biochemical KDR kinase assays were performed in 96 well micro...	-
Platelet-derived growth factor receptor beta	IC50	=	24.0	nM	7.62	Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well...	-
Platelet-derived growth factor receptor beta	IC50	=	24.0	nM	7.62	PDGFRbeta Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 we...	-

Data from ChEMBL 36 via Core Engine