Compound Detail

CHEMBL412897

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O=P(O)(O)c1cc2c(Cl)cc(Cl)cc2nc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL412897
Phase	Preclinical
Structure Type	MOL
InChI Key	JNHBTWGJBYVBTF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

294.0

MW (Da)

2.05

ALogP

HBA

HBD

90.7

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.46

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	5.46	5.43	3500.0	2
Glutamate NMDA receptor CHEMBL1907608	IC50	5.29	4.905	5100.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, kainate	IC50	=	3500.0	nM	5.46	Inhibitory activity against [3H]AMPA binding to rat cortical membranes	8568808
Glutamate receptor ionotropic, kainate	IC50	=	4000.0	nM	5.4	Antagonistic activity against rat ionotropic glutamate receptor ionotropic kaina...	8568808
Glutamate NMDA receptor	IC50	=	5100.0	nM	5.29	Inhibitory activity against [3H]glycine binding site of N-methyl-D-aspartate glu...	8568808
Glutamate NMDA receptor	IC50	=	30000.0	nM	4.52	Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1 in Xenop...	8568808

PubMed	DOI	Target Context	# Activities
8568808	10.1021/jm950323j	Glutamate receptor ionotropic, kainate	2
8568808	10.1021/jm950323j	Glutamate NMDA receptor	2
8568808	10.1021/jm950323j	Mus musculus	1
8568808	10.1021/jm950323j	Unchecked	1

Data from ChEMBL 36 via Core Engine