Compound Detail

CHEMBL253429

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Nc1ccc(NC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2-c2ccc3c(c2)OCO3)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL253429
Phase	Preclinical
Structure Type	MOL
InChI Key	ZXNFACJZSMSYCK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

439.4

MW (Da)

4.24

ALogP

HBA

HBD

131.4

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.67

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hypoxia-inducible factor 1-alpha CHEMBL4261	IC50	6.67	6.67	214.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.42	6.42	380.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hypoxia-inducible factor 1-alpha	IC50	=	214.0	nM	6.67	Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa c...	24900662
Vascular endothelial growth factor receptor 2	IC50	=	380.0	nM	6.42	Inhibition of KDR	17983745

PubMed	DOI	Target Context	# Activities
17983745	10.1016/j.bmcl.2007.10.084	Vascular endothelial growth factor receptor 2	2
17983745	10.1016/j.bmcl.2007.10.084	Unchecked	1
17983745	10.1016/j.bmcl.2007.10.084	A-431	1
17983745	10.1016/j.bmcl.2007.10.084	Epidermal growth factor receptor	1
17983745	10.1016/j.bmcl.2007.10.084	Receptor tyrosine-protein kinase erbB-2	1
17983745	10.1016/j.bmcl.2007.10.084	Vascular endothelial growth factor receptor 1	1
24900662	10.1021/ml3004632	Hypoxia-inducible factor 1-alpha	1

Data from ChEMBL 36 via Core Engine