Compound Detail

CHEMBL116889

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O=C(O)C1CC2(CCCC(CP(=O)(O)O)C2)CCN1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL116889
Phase	Preclinical
Structure Type	MOL
InChI Key	SRHBVEUHCYLIKJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

291.3

MW (Da)

1.18

ALogP

HBA

HBD

106.9

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.26

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor CHEMBL1907608	IC50	7.26	6.22	55.0	3
Unchecked CHEMBL612545	IC50	6.82	5.83	150.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate NMDA receptor	IC50	=	55.0	nM	7.26	In vitro compound's ability to displace [3H]-CGS-19,755 binding as a measure of ...	1404235
Unchecked	IC50	=	150.0	nM	6.82	In vitro inhibition of 40 uM NMDA induced depolarization in mouse cortical slice...	1404235
Glutamate NMDA receptor	IC50	=	815.0	nM	6.09	Displacement of [3H]CGS-19,755 from glutamate recognition site of N-methyl-D-asp...	1404235
Unchecked	IC50	=	1700.0	nM	5.77	In vitro inhibition of 40 uM NMDA induced depolarization in mouse cortical slice...	1404235
Glutamate NMDA receptor	IC50	=	4870.0	nM	5.31	Displacement of [3H]CGS-19,755 from glutamate recognition site of N-methyl-D-asp...	1404235
Unchecked	IC50	=	12700.0	nM	4.9	In vitro inhibition of 40 uM NMDA induced depolarization in mouse cortical slice...	1404235

PubMed	DOI	Target Context	# Activities
1404235	10.1021/jm00097a012	Glutamate NMDA receptor	3
1404235	10.1021/jm00097a012	Unchecked	3
1404235	10.1021/jm00097a012	Mus musculus	3

Data from ChEMBL 36 via Core Engine