Compound Detail

CHEMBL42146

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Cc1cc(C)c2c(O)c(N=O)c(O)nc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL42146
Phase	Preclinical
Structure Type	MOL
InChI Key	GTUCKKXMLWAYQF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

218.2

MW (Da)

2.66

ALogP

HBA

HBD

82.8

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor CHEMBL1907608	IC50	7.43	7.43	37.0	1
Glutamate [NMDA] receptor CHEMBL2094124	IC50	7.43	7.43	37.0	1
Glutamate receptor ionotropic, NMDA 1 CHEMBL330	IC50	7.43	7.43	37.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate NMDA receptor	IC50	=	37.0	nM	7.43	Inhibition of [3H]DCKA binding to NMDA receptor of rat brain membranes.	8917657
Glutamate [NMDA] receptor	IC50	=	37.0	nM	7.43	Inhibition of [3H]DCKA binding to N-methyl-D-aspartate glutamate receptor	12699379
Glutamate receptor ionotropic, NMDA 1	IC50	=	37.0	nM	7.43	Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes	8765507

PubMed	DOI	Target Context	# Activities
12699379	10.1021/jm0210156	Glutamate [NMDA] receptor	2
8765507	10.1021/jm960214k	Unchecked	2
8917657	10.1021/jm960520y	Glutamate NMDA receptor	1
8765507	10.1021/jm960214k	Glutamate receptor ionotropic, NMDA 1	1
8765507	10.1021/jm960214k	Glutamate receptor ionotropic, AMPA	1

Data from ChEMBL 36 via Core Engine