Compound Detail

CHEMBL606168

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COc1cc(C2=C(c3c[nH]c4ccc(F)cc34)C(=O)NC2=O)cc(OC)c1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL606168
Phase	Preclinical
Structure Type	MOL
InChI Key	HRUYZDJOLIPWLW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

396.4

MW (Da)

2.90

ALogP

HBA

HBD

89.7

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 9 meas. best 7.18

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	7.18	7.18	66.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.09	6.915	82.0	2
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	6.82	6.82	150.0	1
Angiopoietin-1 receptor CHEMBL4128	IC50	5.8	5.8	1567.0	1
Platelet-derived growth factor receptor alpha CHEMBL2007	IC50	5.75	5.75	1800.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	5.57	5.57	2667.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	5.46	5.46	3467.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	5.07	5.07	8533.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 3	IC50	=	66.0	nM	7.18	Inhibition of VEGFR3 after 80 mins by radiometric protein kinase assay	20031417
Vascular endothelial growth factor receptor 2	IC50	=	82.0	nM	7.09	Inhibition of VEGFR2 after 80 mins by radiometric protein kinase assay	20031417
Vascular endothelial growth factor receptor 1	IC50	=	150.0	nM	6.82	Inhibition of VEGFR1 after 80 mins by radiometric protein kinase assay	20031417
Vascular endothelial growth factor receptor 2	IC50	=	182.0	nM	6.74	Kinase Inhibition Assay: The effect of test compounds on the activity of the pro...	-
Angiopoietin-1 receptor	IC50	=	1567.0	nM	5.8	Inhibition of TIE2 after 80 mins by radiometric protein kinase assay	20031417
Platelet-derived growth factor receptor alpha	IC50	=	1800.0	nM	5.75	Inhibition of PDGFRalpha after 80 mins by radiometric protein kinase assay	20031417
Platelet-derived growth factor receptor beta	IC50	=	2667.0	nM	5.57	Inhibition of PDGFRbeta after 80 mins by radiometric protein kinase assay	20031417
Mast/stem cell growth factor receptor Kit	IC50	=	3467.0	nM	5.46	Inhibition of KIT after 80 mins by radiometric protein kinase assay	20031417
Insulin-like growth factor 1 receptor	IC50	=	8533.0	nM	5.07	Inhibition of IGF1R after 80 mins by radiometric protein kinase assay	20031417

PubMed	DOI	Target Context	# Activities
20031417	10.1016/j.bmc.2009.12.004	Unchecked	9
20031417	10.1016/j.bmc.2009.12.004	Vascular endothelial growth factor receptor 3	1
20031417	10.1016/j.bmc.2009.12.004	Vascular endothelial growth factor receptor 2	1
20031417	10.1016/j.bmc.2009.12.004	Vascular endothelial growth factor receptor 1	1
20031417	10.1016/j.bmc.2009.12.004	Angiopoietin-1 receptor	1
20031417	10.1016/j.bmc.2009.12.004	Platelet-derived growth factor receptor beta	1
20031417	10.1016/j.bmc.2009.12.004	Platelet-derived growth factor receptor alpha	1
20031417	10.1016/j.bmc.2009.12.004	Mast/stem cell growth factor receptor Kit	1
20031417	10.1016/j.bmc.2009.12.004	Insulin-like growth factor 1 receptor	1
20031417	10.1016/j.bmc.2009.12.004	Receptor tyrosine-protein kinase erbB-2	1
20031417	10.1016/j.bmc.2009.12.004	Epidermal growth factor receptor	1

Data from ChEMBL 36 via Core Engine