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Compound Detail

CHEMBL275079

LY-379268
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N[C@@]1(C(=O)O)CO[C@H]2[C@H](C(=O)O)[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL275079
Name LY-379268
Phase Preclinical
Structure Type MOL
InChI Key YASVRZWVUGJELU-MDASVERJSA-N
8
Targets
34
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
-1.50
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9NO5
MW 187.15
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.45

Activity Summary

EC50 18 meas. best 9.22
Ki 13 meas. best 8.57
IC50 3 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 9.22 9.1125 0.6 4
Metabotropic glutamate receptor 2
CHEMBL5137
 EC50 8.57 8.57 2.7 3
Metabotropic glutamate receptor 2
CHEMBL5137
 Ki 8.57 7.482 2.7 5
Metabotropic glutamate receptor 3
CHEMBL2888
 EC50 8.34 8.34 4.6 3
Metabotropic glutamate receptor 3
CHEMBL2888
 Ki 8.34 7.728 4.6 5
Metabotropic glutamate receptor 3
CHEMBL3067
 EC50 8.05 8.02 9.0 4
Unchecked
CHEMBL612545
 IC50 7.82 6.8867 15.0 3
Metabotropic glutamate receptor 6
CHEMBL4573
 EC50 6.4 6.4 401.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
 Ki 6.4 6.4 400.0 1
Metabotropic glutamate receptor 8
CHEMBL3228
 EC50 5.77 5.77 1690.0 2
Metabotropic glutamate receptor 8
CHEMBL3228
 Ki 5.77 5.77 1700.0 1
Metabotropic glutamate receptor 4
CHEMBL2736
 EC50 4.68 4.68 21100.0 1
Metabotropic glutamate receptor 4
CHEMBL2736
 Ki 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 0.6 nM 9.22 Agonist activity at rat mGluR2 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 2 EC50 = 0.6166 nM 9.21 Agonist activity at rat mGluR2 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 2 EC50 = 0.955 nM 9.02 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 = 2.69 nM 8.57 Inhibition of forskolin stimulated cAMP production in RGT cells expressing recom... 10090786
Metabotropic glutamate receptor 2 EC50 = 2.7 nM 8.57 Agonist activity at human mGluR2 assessed as effect on cAMP production in RGT ce... 17228865
Metabotropic glutamate receptor 2 EC50 = 2.69 nM 8.57 Agonist activity at human mGLUR2 assessed as inhibition of forskolin-stimulated ... 22318160
Metabotropic glutamate receptor 2 Ki = 2.7 nM 8.57 Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). 10893301
Metabotropic glutamate receptor 3 EC50 = 4.58 nM 8.34 Inhibition of forskolin stimulated cAMP production in RGT cells expressing recom... 10090786
Metabotropic glutamate receptor 3 EC50 = 4.6 nM 8.34 Agonist activity at human mGluR3 assessed as effect on cAMP production in RGT ce... 17228865
Metabotropic glutamate receptor 3 EC50 = 4.58 nM 8.34 Agonist activity at human mGLUR3 assessed as inhibition of forskolin-stimulated ... 22318160
Metabotropic glutamate receptor 3 Ki = 4.6 nM 8.34 Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). 10893301
Metabotropic glutamate receptor 3 Ki = 5.8 nM 8.24 Ability to displace [3H]LY-341,495 from recombinant human Metabotropic glutamate... 10090786
Metabotropic glutamate receptor 3 Ki = 5.8 nM 8.24 Displacement of [3H]LY341495 from human recombinant mGluR3 in RGT cells 17228865
Metabotropic glutamate receptor 3 EC50 = 9.0 nM 8.05 Agonist activity at rat mGluR3 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 3 EC50 = 9.333 nM 8.03 Agonist activity at rat mGluR3 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 3 EC50 = 10.0 nM 8.0 Agonist activity at rat mGlu3 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 3 EC50 = 10.0 nM 8.0 Agonist activity at rat mGlu3 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 2 Ki = 14.1 nM 7.85 Displacement of [3H]LY341495 from human recombinant mGluR2 in RGT cells 17228865
Metabotropic glutamate receptor 2 Ki = 14.1 nM 7.85 Ability to displace [3H]LY-341,495 from recombinant human Metabotropic glutamate... 10090786

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724801 Fibroblast 304
- 10.6019/CHEMBL5058577 Fibroblast 304
- 10.6019/CHEMBL5724801 HEK-293T 304
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5724801 U2OS 304
- 10.6019/CHEMBL5058577 HEK-293T 304
10090786 10.1021/jm980616n Mus musculus 13
10090786 10.1021/jm980616n Unchecked 6
10090786 10.1021/jm980616n Metabotropic glutamate receptor 2 4
10090786 10.1021/jm980616n Metabotropic glutamate receptor 3 4
- 10.6019/CHEMBL5058564 U2OS 4
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 3 3
- 10.6019/CHEMBL5058564 HEK-293T 3
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 3 3
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 2 3
- 10.6019/CHEMBL5058564 Fibroblast 3
10090786 10.1021/jm980616n Glutamate receptor ionotropic, kainate 3
10090786 10.1021/jm980616n Glutamate receptor ionotropic, AMPA 3
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 2
17228865 10.1021/jm060917u Metabotropic glutamate receptor 7 2

Data from ChEMBL 36 via Core Engine