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Compound Detail

CHEMBL121574

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N[C@@](CC1CCOc2ccccc21)(C(=O)O)C1C[C@@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL121574
Phase Preclinical
Structure Type MOL
InChI Key XDGCJSJPDQNCBK-VGSUWQMOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
1.45
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19NO5
MW 305.33
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.42

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 630.0 nM 6.2 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