Compound Detail

CHEMBL143210

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N[C@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL143210
Phase	Preclinical
Structure Type	MOL
InChI Key	IJVMOGKBEVRBPP-ZETCQYMHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

239.2

MW (Da)

0.17

ALogP

HBA

HBD

137.9

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C10H9NO6
MW	239.18
Aromatic Rings	1
Heavy Atoms	17
NP-Likeness	0.04

Activity Summary

EC50 11 meas. best 7.64

Ki 3 meas. best 5.69

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Metabotropic glutamate receptor 8 CHEMBL3228	EC50	7.64	7.5033	23.0	3
Metabotropic glutamate receptor 8 CHEMBL2718	EC50	7.51	7.51	31.0	1
Metabotropic glutamate receptor 4 CHEMBL2736	EC50	5.71	5.605	1960.0	2
D(3) dopamine receptor CHEMBL234	Ki	5.69	5.69	2038.9	1
Metabotropic glutamate receptor 6 CHEMBL4573	EC50	5.5	5.5	3200.0	1
Metabotropic glutamate receptor 6 CHEMBL3842	EC50	5.44	5.44	3600.0	1
Sodium-dependent noradrenaline transporter CHEMBL222	Ki	5.12	5.12	7552.7	1
Sodium-dependent serotonin transporter CHEMBL228	Ki	5.12	5.12	7612.0	1
Metabotropic glutamate receptor 4 CHEMBL2787	EC50	5.06	5.06	8800.0	2
Metabotropic glutamate receptor 1 CHEMBL4477	EC50	4.5	4.5	32000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Metabotropic glutamate receptor 8	EC50	=	23.0	nM	7.64	Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressin...	29397723
Metabotropic glutamate receptor 8	EC50	=	31.0	nM	7.51	Metabotropic glutamate receptor 8 agonist activity against forskolin stimulated ...	14711315
Metabotropic glutamate receptor 8	EC50	=	31.0	nM	7.51	Activation of human metabotropic glutamate 8 receptor expressed in golden hamste...	30365309
Metabotropic glutamate receptor 8	EC50	=	44.0	nM	7.36	Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressin...	29397723
Metabotropic glutamate receptor 4	EC50	=	1960.0	nM	5.71	Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressin...	29397723
D(3) dopamine receptor	Ki	=	2038.92	nM	5.69	PDSP Secondary Binding target: DRD3 - Compounds are tested at 10 uM concentratio...	-
Metabotropic glutamate receptor 4	EC50	=	3200.0	nM	5.5	Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressin...	29397723
Metabotropic glutamate receptor 6	EC50	=	3200.0	nM	5.5	Agonist activity at mGlu6 (unknown origin) expressed in HEK293 cells coexpressin...	29397723
Metabotropic glutamate receptor 6	EC50	=	3600.0	nM	5.44	Metabotropic glutamate receptor 6 agonist activity to influence forskolin stimul...	14711315
Sodium-dependent noradrenaline transporter	Ki	=	7552.66	nM	5.12	PDSP Secondary Binding target: SLC6A2 - Compounds are tested at 10 uM concentrat...	-
Sodium-dependent serotonin transporter	Ki	=	7612.02	nM	5.12	PDSP Secondary Binding target: SLC6A4 - Compounds are tested at 10 uM concentrat...	-
Metabotropic glutamate receptor 4	EC50	=	8800.0	nM	5.06	Metabotropic glutamate receptor 4 agonist activity to influence forskolin stimul...	14711315
Metabotropic glutamate receptor 4	EC50	=	8800.0	nM	5.06	Stimulation od [3H]phosphatidylinositol accumulation by rat Metabotropic glutama...	15801843
Metabotropic glutamate receptor 1	EC50	=	32000.0	nM	4.5	Metabotropic glutamate receptor 1 agonist activity as basal [3H]- IP formation i...	14711315

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5724696	U2OS	24
-	10.6019/CHEMBL4689842	HEK-293T	10
-	10.6019/CHEMBL4689842	Fibroblast	9
-	10.6019/CHEMBL4689842	U2OS	9
-	10.6019/CHEMBL5209801	Type-1 angiotensin II receptor	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL5209801	Beta-2 adrenergic receptor	2
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	2
29397723	10.1021/acs.jmedchem.7b01438	Unchecked	2
29397723	10.1021/acs.jmedchem.7b01438	Metabotropic glutamate receptor 8	2
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	2
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	2
29397723	10.1021/acs.jmedchem.7b01438	Metabotropic glutamate receptor 4	2
15801843	10.1021/jm049092j	Metabotropic glutamate receptor 4	2
-	10.6019/CHEMBL5209801	Glucose-dependent insulinotropic receptor	2
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	2
-	10.6019/CHEMBL5209801	Apelin receptor	2
-	10.6019/CHEMBL5209801	CX3C chemokine receptor 1	2
-	10.6019/CHEMBL5209801	Glucagon-like peptide 1 receptor	2

Data from ChEMBL 36 via Core Engine