Compound Detail

CHEMBL29244

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O=C(O)C1CN(CP(=O)(O)O)CCN1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL29244
Phase	Preclinical
Structure Type	MOL
InChI Key	ILRBBHJXTYIHTP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

224.2

MW (Da)

-1.52

ALogP

HBA

HBD

110.1

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.19

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor CHEMBL1907608	IC50	7.19	6.73	65.0	3
Rattus norvegicus CHEMBL376	IC50	5.28	5.28	5200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate NMDA receptor	IC50	=	65.0	nM	7.19	Inhibitory activity evaluated by its ability to displace [3H]CPP from rat cortic...	1533423
Glutamate NMDA receptor	IC50	=	320.0	nM	6.5	Compound was tested for inhibition of N-methyl-D-aspartate glutamate receptor by...	2145436
Glutamate NMDA receptor	IC50	=	320.0	nM	6.5	Ability to displace [3H]CPP from NMDA receptor in rat brain membrane	1533422
Rattus norvegicus	IC50	=	5200.0	nM	5.28	In vitro antagonist activity by its ability to inhibit glutamate-induced accumul...	1533423

PubMed	DOI	Target Context	# Activities
2145436	10.1021/jm00172a037	Glutamate NMDA receptor	2
1533423	10.1021/jm00086a005	Glutamate NMDA receptor	1
1533423	10.1021/jm00086a005	Rattus norvegicus	1
1533422	10.1021/jm00086a004	Glutamate NMDA receptor	1

Data from ChEMBL 36 via Core Engine