Compound Detail

CHEMBL2311086

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N[C@@](CC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2311086
Phase	Preclinical
Structure Type	MOL
InChI Key	QSTDCUJNEBAZGO-RIFZZMRRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

339.4

MW (Da)

2.71

ALogP

HBA

HBD

100.6

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.62

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.62	6.16	240.0	2
Metabotropic glutamate receptor 3 CHEMBL2888	IC50	6.55	6.55	280.0	1
Metabotropic glutamate receptor 2 CHEMBL5137	IC50	5.36	5.36	4360.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	240.0	nM	6.62	Inhibitory activity for Group II Metabotropic glutamate receptor in rat forebrai...	9464366
Metabotropic glutamate receptor 3	IC50	=	280.0	nM	6.55	Ability to block 1S,3R-ACPD-induced inhibition of forskolin stimulated cyclic-AM...	9464366
Unchecked	IC50	=	2000.0	nM	5.7	Binding affinity for Group II Metabotropic glutamate receptor was measured using...	9464367
Metabotropic glutamate receptor 2	IC50	=	4360.0	nM	5.36	Ability to block 1S,3R-ACPD-induced inhibition of forskolin stimulated cyclic-AM...	9464366

PubMed	DOI	Target Context	# Activities
9464367	10.1021/jm970498o	Unchecked	1
9464366	10.1021/jm970497w	Unchecked	1
9464366	10.1021/jm970497w	Metabotropic glutamate receptor 2	1
9464366	10.1021/jm970497w	Metabotropic glutamate receptor 3	1

Data from ChEMBL 36 via Core Engine