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Compound Detail

CHEMBL333275

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N[C@@](CCc1ccccc1C(F)(F)F)(C(=O)O)C1C[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL333275
Phase Preclinical
Structure Type MOL
InChI Key FHTKMAZEXOYCJZ-FGBBXPCBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
2.14
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 C15H16F3NO4
MW 331.29
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 480.0 nM 6.32 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