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Compound Detail

CHEMBL325688

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CC(C[C@](N)(C(=O)O)C1C[C@@H]1C(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325688
Phase Preclinical
Structure Type MOL
InChI Key UUNDBLJPBRMJNT-POSDNQMTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.68
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 0.30

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 Inhibitory activity for Group II Metabotropic glutamate receptor in rat forebrai... 9464366

Literature References

PubMed DOI Target Context # Activities
9464366 10.1021/jm970497w Unchecked 1

Data from ChEMBL 36 via Core Engine