Compound Detail

CHEMBL73837

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O=C(O)[C@@H]1C[C@H]2C[C@@H](CCS(=O)(=O)O)CC[C@H]2CN1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL73837
Phase	Preclinical
Structure Type	MOL
InChI Key	PADCSENGTQQSME-YTWAJWBKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

291.4

MW (Da)

0.74

ALogP

HBA

HBD

103.7

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.94

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	4.94	4.72	11600.0	2
Glutamate NMDA receptor CHEMBL1907608	IC50	4.21	4.21	61800.0	1
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	4.0	4.0	100000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	11600.0	nM	4.94	Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA 19755...	8667366
Glutamate receptor ionotropic, AMPA	IC50	=	31400.0	nM	4.5	Antagonism at AMPA receptor by inhibition of depolarizations induced by 40 uM AM...	8667366
Glutamate NMDA receptor	IC50	=	61800.0	nM	4.21	Affinity of [3H]-CGS- 19755 radioligand to rat N-methyl-D-aspartate (NMDA) recep...	8667366
Glutamate receptor ionotropic, kainate	IC50	=	100000.0	nM	4.0	Antagonism at Ionotropic glutamate receptor kainate by inhibition of depolarizat...	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