Compound Detail

CHEMBL5786084

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Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(-c3nnn(CCCO)n3)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5786084
Phase	Preclinical
Structure Type	MOL
InChI Key	OGVARLFWIBVKET-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

428.4

MW (Da)

2.67

ALogP

HBA

HBD

119.0

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Ki 3 meas. best 8.3

IC50 2 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.3	8.3	5.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	8.3	8.3	5.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	7.68	7.68	21.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	7.68	7.68	21.0	1
Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785	Ki	5.0	5.0	10000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	5.0	nM	8.3	Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi...	-
Vascular endothelial growth factor receptor 2	Ki	=	5.0	nM	8.3	VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic...	-
Platelet-derived growth factor receptor beta	IC50	=	21.0	nM	7.68	Kinase Assay: PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well...	-
Platelet-derived growth factor receptor beta	Ki	=	21.0	nM	7.68	PKR KinaseGlo Assay: Commercially available recombinant human GST-PKR (SignalChe...	-
Interferon-induced, double-stranded RNA-activated protein kinase	Ki	=	10000.0	nM	5.0	PDGFRβ Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 well ...	-

Data from ChEMBL 36 via Core Engine