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Compound Detail

CHEMBL285043

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N[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL285043
Phase Preclinical
Structure Type MOL
InChI Key FERIKTBTNCSGJS-KIGHRTHISA-N
6
Targets
14
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
-1.04
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11NO6
MW 217.18
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.62

Activity Summary

EC50 14 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
 EC50 5.77 5.3567 1700.0 3
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 5.76 5.45 1740.0 2
Metabotropic glutamate receptor 8
CHEMBL2718
 EC50 5.29 5.145 5100.0 2
Metabotropic glutamate receptor 8
CHEMBL3228
 EC50 5.29 5.29 5100.0 1
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 4.97 4.855 10600.0 2
Metabotropic glutamate receptor 6
CHEMBL4573
 EC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 4 EC50 = 1700.0 nM 5.77 Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressin... 29397723
Metabotropic glutamate receptor 4 EC50 = 1740.0 nM 5.76 Agonist activity at rat mGlu4 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 8 EC50 = 5100.0 nM 5.29 Agonist activity at rat mGlu8 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 8 EC50 = 5100.0 nM 5.29 Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressin... 29397723
Metabotropic glutamate receptor 4 EC50 = 7000.0 nM 5.16 Agonistic activity at Metabotropic glutamate receptor 4 expressed in mammalian c... 10888329
Metabotropic glutamate receptor 4 EC50 = 7200.0 nM 5.14 Agonist activity against Metabotropic glutamate receptor 4 expressed in HEK 293 ... 9301676
Metabotropic glutamate receptor 4 EC50 = 7200.0 nM 5.14 Activity at rat mGluR4 receptor measured as intracellular calcium concentration ... 16828551
Metabotropic glutamate receptor 8 EC50 = 10100.0 nM 5.0 Activity at rat mGluR8 receptor measured as intracellular calcium concentration ... 16828551
Metabotropic glutamate receptor 6 EC50 = 10600.0 nM 4.97 Agonist activity at rat mGlu6 receptor expressed in HEK293 cells co-transfected ... 20218620
Metabotropic glutamate receptor 6 EC50 = 11000.0 nM 4.96 Agonist activity at mGlu6 (unknown origin) expressed in HEK293 cells coexpressin... 29397723
Metabotropic glutamate receptor 6 EC50 = 18400.0 nM 4.74 Activity at rat mGluR6 receptor measured as intracellular calcium concentration ... 16828551

Literature References

PubMed DOI Target Context # Activities
9301676 10.1021/jm970207b Metabotropic glutamate receptor 1 2
9301676 10.1021/jm970207b Metabotropic glutamate receptor 2 2
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 7 1
29397723 10.1021/acs.jmedchem.7b01438 Unchecked 1
29397723 10.1021/acs.jmedchem.7b01438 Metabotropic glutamate receptor 4 1
20218620 10.1021/jm901523t Metabotropic glutamate receptor 8 1
20218620 10.1021/jm901523t Metabotropic glutamate receptor 7 1
20218620 10.1021/jm901523t Metabotropic glutamate receptor 6 1
20218620 10.1021/jm901523t Metabotropic glutamate receptor 4 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 2 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 4 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 3 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 8 1
10888329 10.1016/s0960-894x(00)00247-x Metabotropic glutamate receptor 4 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 6 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 5 1
15801843 10.1021/jm049092j Metabotropic glutamate receptor 4 1
9301676 10.1021/jm970207b Metabotropic glutamate receptor 4 1
12109902 10.1021/jm010323l Metabotropic glutamate receptor 4 1
12109902 10.1021/jm010323l Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine