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Compound Detail

CHEMBL5560070

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

Basic Information

ChEMBL ID CHEMBL5560070
Phase Preclinical
Structure Type MOL
InChI Key QWPZQJSGAWBTFK-FYKNKCDXSA-N
Parent Compound CHEMBL6069725
Active Moiety CHEMBL6069725
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H12ClNO4
MW 209.63
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.66

Activity Summary

EC50 2 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 5.39 5.39 4073.8 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 4100.0 nM 5.39 Agonist activity at rat mGluR2 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 2 EC50 = 4073.8 nM 5.39 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