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Compound Detail

CHEMBL125985

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Cc1cccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125985
Phase Preclinical
Structure Type MOL
InChI Key KBDQFKQTJBFOTK-CPNOVKFWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.43
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.73
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 C15H19NO4
MW 277.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.14

Activity Summary

IC50 2 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.05 6.07 89.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 89.0 nM 7.05 Binding affinity for Group II Metabotropic glutamate receptor was measured using... 9464367
Unchecked IC50 = 8100.0 nM 5.09 Binding affinity for Group II Metabotropic glutamate receptor was measured using... 9464367

Literature References

PubMed DOI Target Context # Activities
9464367 10.1021/jm970498o Unchecked 2

Data from ChEMBL 36 via Core Engine