Compound Detail

CHEMBL372631

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NC(Cn1ccc(=O)n(Cc2ccccc2C(=O)O)c1=O)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL372631
Phase	Preclinical
Structure Type	MOL
InChI Key	UUIYULWYHDSXHL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

333.3

MW (Da)

-0.83

ALogP

HBA

HBD

144.6

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 4.01

Kd 1 meas. best 5.96

Ki 1 meas.

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, kainate 1 CHEMBL2919	Kd	5.96	5.96	1090.0	1
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	4.01	4.01	97600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, kainate 1	Kd	=	1090.0	nM	5.96	Antagonism on GLUK5 containing kainate induced depolarization of isolated neonat...	16302825
Glutamate receptor ionotropic, AMPA	IC50	=	97600.0	nM	4.01	Antagonist activity on AMPA receptor expressed on rat motoneurons by its ability...	16302825

PubMed	DOI	Target Context	# Activities
16302825	10.1021/jm050584l	Glutamate receptor ionotropic, AMPA	3
16302825	10.1021/jm050584l	Unchecked	3
16302825	10.1021/jm050584l	Glutamate receptor ionotropic, kainate 1	2
16302825	10.1021/jm050584l	Glutamate receptor ionotropic, kainate 2	2
16302825	10.1021/jm050584l	Glutamate receptor ionotropic, kainate 3	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
16302825	10.1021/jm050584l	Glutamate receptor 1	1
16302825	10.1021/jm050584l	Glutamate receptor 2	1
16302825	10.1021/jm050584l	Glutamate receptor 3	1
16302825	10.1021/jm050584l	Glutamate receptor 4	1

Data from ChEMBL 36 via Core Engine