Compound Detail

CHEMBL433294

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O=C(CC[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1)Nc1nn[nH]n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL433294
Phase	Preclinical
Structure Type	MOL
InChI Key	NQISSZXEZHNZIT-YTWAJWBKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

322.4

MW (Da)

0.40

ALogP

HBA

HBD

132.9

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	4.72	4.43	19000.0	2
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	4.15	4.15	71000.0	1
Glutamate NMDA receptor CHEMBL1907608	IC50	4.08	4.08	84000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	19000.0	nM	4.72	Antagonism at AMPA receptor by inhibition of depolarizations induced by 40 uM AM...	8667366
Glutamate receptor ionotropic, kainate	IC50	=	71000.0	nM	4.15	Antagonism at Ionotropic glutamate receptor kainate by inhibition of depolarizat...	8667366
Glutamate receptor ionotropic, AMPA	IC50	=	72600.0	nM	4.14	Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA 19755...	8667366
Glutamate NMDA receptor	IC50	=	84000.0	nM	4.08	Antagonism at NMDA receptor by inhibition of depolarizations induced by 40 uM NM...	8667366

PubMed	DOI	Target Context	# Activities
8667366	10.1021/jm950913h	Glutamate NMDA receptor	2
8667366	10.1021/jm950913h	Glutamate receptor ionotropic, AMPA	2
8667366	10.1021/jm950913h	Glutamate receptor ionotropic, kainate	2

Data from ChEMBL 36 via Core Engine