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Compound Detail

CHEMBL5532032

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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 CHEMBL5532032
Phase Preclinical
Structure Type MOL
InChI Key QWPZQJSGAWBTFK-WVADXRAYSA-N
Parent Compound CHEMBL5570623
Active Moiety CHEMBL5570623
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
9
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 10 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 7.09 7.09 81.3 2
Metabotropic glutamate receptor 3
CHEMBL3067
 EC50 5.91 5.91 1220.0 2
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 5.67 5.665 2138.0 2
Metabotropic glutamate receptor 1
CHEMBL4477
 EC50 5.29 5.285 5128.6 2
Metabotropic glutamate receptor 5
CHEMBL2564
 EC50 4.97 4.96 10600.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 82.0 nM 7.09 Agonist activity at rat mGluR2 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 2 EC50 = 81.28 nM 7.09 Agonist activity at rat mGluR2 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 3 EC50 = 1220.0 nM 5.91 Agonist activity at rat mGluR3 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 3 EC50 = 1230.27 nM 5.91 Agonist activity at rat mGluR3 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 6 EC50 = 2137.96 nM 5.67 Agonist activity at rat mGluR6 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 6 EC50 = 2180.0 nM 5.66 Agonist activity at rat mGluR6 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 1 EC50 = 5128.61 nM 5.29 Agonist activity at rat mGluR1 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 1 EC50 = 5210.0 nM 5.28 Agonist activity at rat mGluR1 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 5 EC50 = 10600.0 nM 4.97 Agonist activity at rat mGluR5 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 5 EC50 = 11220.18 nM 4.95 Agonist activity at rat mGluR5 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 Unchecked 7
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 1 3
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 5 3
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 2 3
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 3 3
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 6 3
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 4 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