Compound Detail

CHEMBL366588

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NC(Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL366588
Phase	Preclinical
Structure Type	MOL
InChI Key	IEBVITXSHAFLJR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

244.2

MW (Da)

-2.14

ALogP

HBA

HBD

161.3

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.92

EC50 1 meas. best 4.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	6.92	6.92	120.0	1
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	5.43	5.43	3700.0	1
Rattus norvegicus CHEMBL376	EC50	4.82	4.82	15000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	120.0	nM	6.92	Inhibition of specific binding of [3H]AMPA to Ionotropic glutamate receptor AMPA...	9379437
Glutamate receptor ionotropic, kainate	IC50	=	3700.0	nM	5.43	Inhibition of specific binding of [3H]kainate to Ionotropic glutamate receptor k...	9379437
Rattus norvegicus	EC50	=	15000.0	nM	4.82	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