Compound Detail

CHEMBL72573

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL72573
Phase	Preclinical
Structure Type	MOL
InChI Key	IJYIQCVVNGGYEV-YTWAJWBKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

255.3

MW (Da)

1.33

ALogP

HBA

HBD

86.6

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.56

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	4.56	4.47	27800.0	2
Glutamate NMDA receptor CHEMBL1907608	IC50	4.36	4.3	43900.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	27800.0	nM	4.56	Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA 19755...	8667366
Glutamate receptor ionotropic, AMPA	IC50	=	42000.0	nM	4.38	Compound was tested for AMPA receptor antagonistic activity by measuring its abi...	8667366
Glutamate NMDA receptor	IC50	=	43900.0	nM	4.36	Affinity of [3H]-CGS- 19755 radioligand to rat N-methyl-D-aspartate (NMDA) recep...	8667366
Glutamate NMDA receptor	IC50	=	57000.0	nM	4.24	Antagonism at NMDA receptor by inhibition of depolarizations induced by 40 uM NM...	8667366

PubMed	DOI	Target Context	# Activities
8667366	10.1021/jm950913h	Mus musculus	3
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