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Compound Detail

CHEMBL5537101

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

Basic Information

ChEMBL ID CHEMBL5537101
Phase Preclinical
Structure Type MOL
InChI Key RAYCULVIJPUITB-CGOLMLKISA-N
Parent Compound CHEMBL6069232
Active Moiety CHEMBL6069232
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
-0.10
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H14ClNO4
MW 223.66
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.71

Activity Summary

EC50 2 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 5.0 4.9 10000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 10000.0 nM 5.0 Agonist activity at rat mGluR2 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 2 EC50 = 15848.93 nM 4.8 Agonist activity at rat mGluR2 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976

Literature References

PubMed DOI Target Context # Activities
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 2 3
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 1 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 5 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 3 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 4 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 6 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 7 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 8 2

Data from ChEMBL 36 via Core Engine