Compound Detail

CHEMBL3814311

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Nc1ncnc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)c1/C=N/O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3814311
Phase	Preclinical
Structure Type	MOL
InChI Key	RFJYJWFDGPUVNO-ORBVJSQLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

468.4

MW (Da)

3.29

ALogP

HBA

HBD

151.8

PSA (Å²)

0.18

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.85	6.85	140.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.71	6.71	194.0	1
HUVEC CHEMBL613979	IC50	6.58	6.58	260.0	1
Hepatocyte growth factor receptor CHEMBL3717	IC50	6.57	6.57	270.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	140.0	nM	6.85	Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as s...	27068889
NON-PROTEIN TARGET	IC50	=	194.0	nM	6.71	Antiproliferative activity against mouse BA/F3 cells expressing TPR-Met after 72...	27068889
HUVEC	IC50	=	260.0	nM	6.58	Antiproliferative activity against recombinant human VEGF-stimulated HUVEC after...	27068889
Hepatocyte growth factor receptor	IC50	=	270.0	nM	6.57	Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as su...	27068889

PubMed	DOI	Target Context	# Activities
27068889	10.1016/j.bmc.2016.03.061	NON-PROTEIN TARGET	1
27068889	10.1016/j.bmc.2016.03.061	No relevant target	1
27068889	10.1016/j.bmc.2016.03.061	HUVEC	1
27068889	10.1016/j.bmc.2016.03.061	Hepatocyte growth factor receptor	1
27068889	10.1016/j.bmc.2016.03.061	Vascular endothelial growth factor receptor 2	1

Data from ChEMBL 36 via Core Engine