Compound Detail

CHEMBL23255

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O=C(O)Cc1c(C(=O)O)[nH]c2cc(Cl)ccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL23255
Phase	Preclinical
Structure Type	MOL
InChI Key	GTVJSFUJLMFZCQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

253.6

MW (Da)

2.15

ALogP

HBA

HBD

90.4

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.02

Ki 2 meas. best 5.79

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor CHEMBL1907608	IC50	6.02	6.02	960.0	1
Glutamate NMDA receptor CHEMBL1907608	Ki	5.79	5.48	1610.0	2
Glutamate receptor ionotropic, NMDA 2C CHEMBL401	IC50	5.5	5.5	3200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate NMDA receptor	IC50	=	960.0	nM	6.02	In vitro inhibition of [3H]glycine at NMDA receptor	7990104
Glutamate NMDA receptor	Ki	=	1610.0	nM	5.79	Inhibition of strychnine-insensitive [3H]glycine binding to the N-methyl-D-aspar...	1849994
Glutamate receptor ionotropic, NMDA 2C	IC50	=	3200.0	nM	5.5	Compound was evaluated for in vitro inhibition of oocytes at NMDA receptor	7990104
Glutamate NMDA receptor	Ki	=	6800.0	nM	5.17	Inhibition of strychnine-insensitive [3H]MK-801 binding to the N-methyl-D-aspart...	1849994

PubMed	DOI	Target Context	# Activities
7990104	10.1021/jm00050a001	Rattus norvegicus	2
1849994	10.1021/jm00108a007	Glutamate NMDA receptor	2
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