Compound Detail

CHEMBL180427

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL180427
Phase	Preclinical
Structure Type	MOL
InChI Key	LPWVUDLZUVBQGP-DHZHZOJOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

376.2

MW (Da)

4.80

ALogP

HBA

HBD

90.4

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.96

Ki 1 meas. best 7.68

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor CHEMBL1907608	IC50	7.96	7.86	10.9	3
Glutamate NMDA receptor CHEMBL1907608	Ki	7.68	7.68	21.0	1
Rattus norvegicus CHEMBL376	IC50	6.55	6.55	282.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate NMDA receptor	IC50	=	11.0	nM	7.96	Antagonist activity of compound against rat N-methyl-D-aspartate glutamate recep...	15715469
Glutamate NMDA receptor	IC50	=	10.9	nM	7.96	In vitro inhibitory concentration against binding of the [3H]glycine to strychni...	15715469
Glutamate NMDA receptor	Ki	=	21.0	nM	7.68	Displacement of [3H]MDL105519 from NMDA receptor glycine binding site in Wistar ...	23403082
Glutamate NMDA receptor	IC50	=	22.0	nM	7.66	Displacement of [3H]MDL105519 from NMDA receptor glycine binding site in Wistar ...	23403082
Rattus norvegicus	IC50	=	282.0	nM	6.55	In vitro inhibitory concentration against glutamate stimulated accumulation of c...	15715469

PubMed	DOI	Target Context	# Activities
15715469	10.1021/jm0491849	Mus musculus	3
23403082	10.1016/j.bmcl.2013.01.025	Glutamate NMDA receptor	3
15715469	10.1021/jm0491849	Glutamate NMDA receptor	2
15715469	10.1021/jm0491849	Rattus norvegicus	2

Data from ChEMBL 36 via Core Engine