Compound Detail

CHEMBL423498

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O=C(O)[C@@H]1C[C@H]2C[C@@H](CS(=O)(=O)c3nc[nH]n3)CC[C@H]2CN1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL423498
Phase	Preclinical
Structure Type	MOL
InChI Key	UYHYXLFGDIEBJX-MMWGEVLESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

328.4

MW (Da)

0.06

ALogP

HBA

HBD

125.0

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	6.22	5.8867	600.0	3
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	5.0	5.0	10000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	600.0	nM	6.22	Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA 19755...	8667366
Glutamate receptor ionotropic, AMPA	IC50	=	1700.0	nM	5.77	Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA 19755...	8667366
Glutamate receptor ionotropic, AMPA	IC50	=	2160.0	nM	5.67	Antagonism at AMPA receptor by inhibition of depolarizations induced by 40 uM AM...	8667366
Glutamate receptor ionotropic, kainate	IC50	=	10000.0	nM	5.0	Antagonism at Ionotropic glutamate receptor kainate by inhibition of depolarizat...	8667366

PubMed	DOI	Target Context	# Activities
8667366	10.1021/jm950913h	Glutamate NMDA receptor	3
8667366	10.1021/jm950913h	Glutamate receptor ionotropic, AMPA	3
8667366	10.1021/jm950913h	Glutamate receptor ionotropic, kainate	3
8667366	10.1021/jm950913h	Mus musculus	3

Data from ChEMBL 36 via Core Engine