Compound Detail

CHEMBL108147

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NC(Cc1ccc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL108147
Phase	Preclinical
Structure Type	MOL
InChI Key	HGVGOHYWTZWBJN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

271.2

MW (Da)

0.16

ALogP

HBA

HBD

169.8

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 5.31

EC50 1 meas. best 4.13

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	5.31	5.31	4900.0	1
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	4.47	4.47	34000.0	1
Rattus norvegicus CHEMBL376	EC50	4.13	4.13	74000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	4900.0	nM	5.31	Inhibition of specific binding of [3H]AMPA to Ionotropic glutamate receptor AMPA...	9379437
Glutamate receptor ionotropic, kainate	IC50	=	34000.0	nM	4.47	Inhibition of specific binding of [3H]kainate to Ionotropic glutamate receptor k...	9379437
Rattus norvegicus	EC50	=	74000.0	nM	4.13	In vitro stimulation of norepinephrine release from hippocampal nerve endings.	9379437

PubMed	DOI	Target Context	# Activities
9379437	10.1021/jm950028z	Glutamate receptor ionotropic, AMPA	2
9379437	10.1021/jm950028z	ADMET	1
9379437	10.1021/jm950028z	Glutamate receptor ionotropic, kainate	1
9379437	10.1021/jm950028z	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine