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

CHEMBL126608

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
N[C@@H](CCn1oc(=O)[nH]c1=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126608
Phase Preclinical
Structure Type MOL
InChI Key MYEZMCPZYGQLNG-VKHMYHEASA-N
3
Targets
9
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
-2.07
ALogP
6
HBA
3
HBD
131.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H9N3O5
MW 203.15
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.34

Activity Summary

IC50 6 meas. best 6.77
Ki 3 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.77 5.27 170.0 6
Metabotropic glutamate receptor 2
CHEMBL5137
 Ki 4.64 4.64 23000.0 1
Metabotropic glutamate receptor 5
CHEMBL3227
 Ki 4.44 4.44 36000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 170.0 nM 6.77 sensitization of CA1 pyramidal neurons to depolarizations by L-AP6 after exposur... 7966155
Unchecked IC50 = 5500.0 nM 5.26 ability to directly depolarize CA1 pyramidal neurons of rat hyppocampal slices a... 7966155
Unchecked IC50 = 9800.0 nM 5.01 ability to directly depolarize CA1 pyramidal neurons of rat hyppocampal slices b... 7966155
Unchecked IC50 = 11000.0 nM 4.96 sensitization of CA1 pyramidal neurons to depolarizations by L-AP6 before exposu... 7966155
Unchecked IC50 = 12000.0 nM 4.92 sensitization of CA1 pyramidal neurons to depolarizations by L-AP6 after reversa... 7966155
Unchecked IC50 = 20000.0 nM 4.7 ability to directly depolarize CA1 pyramidal neurons of rat hyppocampal slices a... 7966155
Metabotropic glutamate receptor 2 Ki = 23000.0 nM 4.64 Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). 10893301
Metabotropic glutamate receptor 5 Ki = 36000.0 nM 4.44 Agonist potency against cloned metabotropic glutamate receptor 5 10893301

Literature References

PubMed DOI Target Context # Activities
7966155 10.1021/jm00049a013 Unchecked 6
10893301 10.1021/jm000007r Metabotropic glutamate receptor 1 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 2 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 4 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 5 1
15801843 10.1021/jm049092j Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine