Compound Detail

CHEMBL337030

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O=C1C2CC(CCN2)N1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL337030
Phase	Preclinical
Structure Type	MOL
InChI Key	TVHDOQRUZFTFEE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

142.2

MW (Da)

-0.66

ALogP

HBA

HBD

52.6

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 4.72

Ki 2 meas. best 5.46

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rattus norvegicus CHEMBL376	Ki	5.46	5.46	3500.0	1
Glutamate receptor ionotropic, NMDA 2C CHEMBL401	Ki	5.46	5.46	3500.0	1
Glutamate NMDA receptor CHEMBL1907608	IC50	4.72	4.72	19000.0	1
Glutamate receptor ionotropic, NMDA 1 CHEMBL330	IC50	4.72	4.72	19000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rattus norvegicus	Ki	=	3500.0	nM	5.46	In vitro inhibitory activity of glycine (0.3 uM) responses in isolated cultured ...	-
Glutamate receptor ionotropic, NMDA 2C	Ki	=	3500.0	nM	5.46	Compound was evaluated for in vitro inhibition of cortical neuron at NMDA recept...	7990104
Glutamate receptor ionotropic, NMDA 1	IC50	=	19000.0	nM	4.72	Inhibition of [3H]glycine binding to rat cortical membranes	-
Glutamate NMDA receptor	IC50	=	19000.0	nM	4.72	In vitro inhibition of [3H]glycine at NMDA receptor	7990104

PubMed	DOI	Target Context	# Activities
-	10.1016/S0960-894X(00)80094-3	Glutamate receptor ionotropic, NMDA 1	1
-	10.1016/S0960-894X(00)80094-3	Rattus norvegicus	1
7990104	10.1021/jm00050a001	Glutamate NMDA receptor	1
7990104	10.1021/jm00050a001	Glutamate receptor ionotropic, NMDA 2C	1

Data from ChEMBL 36 via Core Engine