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Compound Detail

CHEMBL332526

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N[C@@](CCc1ccc(Cl)cc1Cl)(C(=O)O)C1C[C@@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL332526
Phase Preclinical
Structure Type MOL
InChI Key WFYBMXDAGSIWJM-UGJFRGMJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.2
MW (Da)
2.43
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15Cl2NO4
MW 332.18
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 220.0 nM 6.66 Binding affinity for Group II Metabotropic glutamate receptor was measured using... 9464367

Literature References

PubMed DOI Target Context # Activities
9464367 10.1021/jm970498o Unchecked 1

Data from ChEMBL 36 via Core Engine