Compound Detail

CHEMBL294792

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O=C(O)c1cc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL294792
Phase	Preclinical
Structure Type	MOL
InChI Key	JCJAMOOQVNCTJP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

279.2

MW (Da)

1.46

ALogP

HBA

HBD

156.7

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	6.82	6.67	150.0	2
Glutamate NMDA receptor CHEMBL1907608	IC50	6.24	5.995	570.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, kainate	IC50	=	150.0	nM	6.82	Inhibitory activity against [3H]AMPA binding to rat cortical membranes	8568808
Glutamate receptor ionotropic, kainate	IC50	=	300.0	nM	6.52	Antagonistic activity against rat ionotropic glutamate receptor ionotropic kaina...	8568808
Glutamate NMDA receptor	IC50	=	570.0	nM	6.24	Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1 in Xenop...	8568808
Glutamate NMDA receptor	IC50	=	1800.0	nM	5.75	Inhibitory activity against [3H]glycine binding site of N-methyl-D-aspartate glu...	8568808

PubMed	DOI	Target Context	# Activities
8568808	10.1021/jm950323j	Glutamate receptor ionotropic, kainate	2
8568808	10.1021/jm950323j	Glutamate NMDA receptor	2
8568808	10.1021/jm950323j	Mus musculus	1
8568808	10.1021/jm950323j	Unchecked	1

Data from ChEMBL 36 via Core Engine