Compound Detail

CHEMBL383417

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Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL383417
Phase	Preclinical
Structure Type	MOL
InChI Key	SQUBJXXBYMPOFW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

276.3

MW (Da)

2.65

ALogP

HBA

HBD

87.6

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 9 meas. best 8.0

EC50 3 meas. best 7.11

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	8.0	8.0	10.0	1
Vascular endothelial growth factor receptor 2 CHEMBL3337	IC50	7.6	7.6	25.0	2
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	7.55	7.55	28.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.52	7.44	30.0	2
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.24	7.24	58.0	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	7.11	7.11	78.0	1
HMEC CHEMBL614734	EC50	7.11	7.11	78.0	2
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	6.99	6.99	102.0	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	IC50	6.14	6.14	731.0	1

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	Inhibition of human recombinant PDGFRbeta	19113866
Vascular endothelial growth factor receptor 2	IC50	=	25.0	nM	7.6	Inhibitory activity against VEGFR2	16446087
Vascular endothelial growth factor receptor 2	IC50	=	25.0	nM	7.6	Inhibition of VEGFR2	16603352
Vascular endothelial growth factor receptor 1	IC50	=	28.0	nM	7.55	Inhibitory activity against VEGFR1	16446087
Fibroblast growth factor receptor 1	IC50	=	30.0	nM	7.52	Inhibition of human recombinant FGFR1	19113866
Fibroblast growth factor receptor 1	IC50	=	44.0	nM	7.36	Inhibitory activity against FGFR1	16446087
Vascular endothelial growth factor receptor 2	IC50	=	58.0	nM	7.24	Inhibition of human recombinant VEGFR2	19113866
HMEC	EC50	=	78.0	nM	7.11	Activity against HMVEC	16446087
HMEC	EC50	=	78.0	nM	7.11	Inhibition of VEGF-mediated proliferation of HMVEC	16603352
NON-PROTEIN TARGET	EC50	=	78.0	nM	7.11	Inhibition of VEGF-mediated proliferation of HMVEC after 72 hrs	19113866
Platelet-derived growth factor receptor beta	IC50	=	102.0	nM	6.99	Inhibitory activity against PDGFRbeta	16446087
Serine/threonine-protein kinase Chk1	IC50	=	731.0	nM	6.14	Inhibition of CHK1	16603354

PubMed	DOI	Target Context	# Activities
16446087	10.1016/j.bmcl.2006.01.020	Vascular endothelial growth factor receptor 1	1
16446087	10.1016/j.bmcl.2006.01.020	Vascular endothelial growth factor receptor 2	1
16446087	10.1016/j.bmcl.2006.01.020	Platelet-derived growth factor receptor beta	1
16446087	10.1016/j.bmcl.2006.01.020	Fibroblast growth factor receptor 1	1
16446087	10.1016/j.bmcl.2006.01.020	HMEC	1
16603354	10.1016/j.bmcl.2006.03.059	Serine/threonine-protein kinase Chk1	1
16603352	10.1016/j.bmcl.2006.03.069	HMEC	1
16603352	10.1016/j.bmcl.2006.03.069	Vascular endothelial growth factor receptor 2	1
19113866	10.1021/jm800790t	Vascular endothelial growth factor receptor 2	1
19113866	10.1021/jm800790t	Fibroblast growth factor receptor 1	1
19113866	10.1021/jm800790t	Platelet-derived growth factor receptor beta	1
19113866	10.1021/jm800790t	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine