Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5571283

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cl.N[C@H](C(=O)O)[C@H]1[C@H](CC(=O)O)[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571283
Phase Preclinical
Structure Type MOL
InChI Key IJIMBAQOIGVLDM-LHMMKRFUSA-N
Parent Compound CHEMBL143267
Active Moiety CHEMBL143267
5
Targets
16
Activities
1
Assay Types
7
PK Parameters
10
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
-1.18
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H12ClNO6
MW 253.64
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.10

Activity Summary

EC50 16 meas. best 9.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 9.24 8.2233 0.6 6
Metabotropic glutamate receptor 8
CHEMBL2718
 EC50 7.45 7.23 35.5 2
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 7.45 7.205 35.5 2
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 6.61 6.58 244.9 2
Metabotropic glutamate receptor 3
CHEMBL3067
 EC50 6.43 5.685 371.5 4

Pharmacokinetic Data

Parameter Value Units Species
Cmax 5.365 ug.mL-1 Mus musculus
Cmax 0.583 ug.mL-1 Mus musculus
Cmax 0.05 ug.mL-1 Mus musculus
Cmax 86.0 ng/g Mus musculus
Cmax 75.0 ng/g Mus musculus
Cmax 68.0 ng/g Mus musculus
T1/2 0.5 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 0.5754 nM 9.24 Agonist activity at rat mGlu2 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 2 EC50 = 1.0 nM 9.0 Agonist activity at rat mGlu2 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 2 EC50 = 12.59 nM 7.9 Agonist activity at SNAP tagged rat mGlu2 transfected HEK293 cells by TR-FRET as... 38170918
Metabotropic glutamate receptor 2 EC50 = 13.0 nM 7.89 Agonist activity at SNAP tagged rat mGlu2 transfected HEK293 cells by TR-FRET as... 38170918
Metabotropic glutamate receptor 2 EC50 = 22.0 nM 7.66 Agonist activity at SNAP tagged rat mGlu2 transfected HEK293 cells preincubated ... 38170918
Metabotropic glutamate receptor 2 EC50 = 22.39 nM 7.65 Agonist activity at SNAP tagged rat mGlu2 transfected HEK293 cells by TR-FRET as... 38170918
Metabotropic glutamate receptor 4 EC50 = 35.48 nM 7.45 Agonist activity at rat mGlu4 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 8 EC50 = 35.48 nM 7.45 Agonist activity at rat mGlu8 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 8 EC50 = 97.0 nM 7.01 Agonist activity at rat mGlu8 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 4 EC50 = 110.0 nM 6.96 Agonist activity at rat mGlu4 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 6 EC50 = 244.91 nM 6.61 Agonist activity at rat mGlu6 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 6 EC50 = 280.0 nM 6.55 Agonist activity at rat mGlu6 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 3 EC50 = 375.0 nM 6.43 Agonist activity at rat mGlu3 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 3 EC50 = 371.54 nM 6.43 Agonist activity at rat mGlu3 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 3 EC50 = 11500.0 nM 4.94 Agonist activity at SNAP tagged rat mGlu3 transfected HEK293 cells preincubated ... 38170918
Metabotropic glutamate receptor 3 EC50 = 11481.54 nM 4.94 Agonist activity at SNAP tagged rat mGlu3 transfected HEK293 cells preincubated ... 38170918

Literature References

PubMed DOI Target Context # Activities
38170918 10.1021/acs.jmedchem.3c01811 ADMET 8
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 2 7
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 3 5
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 4 3
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 6 3
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 8 3
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 1 2
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 5 2
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 7 2
38170918 10.1021/acs.jmedchem.3c01811 Unchecked 2

Data from ChEMBL 36 via Core Engine