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Compound Detail

CHEMBL294683

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N[C@@H](C[C@@H](C/C=C/c1ccc(F)cc1)C(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL294683
Phase Preclinical
Structure Type MOL
InChI Key MKAFLUPVNVGIOL-QNDCKANFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
1.73
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16FNO4
MW 281.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.56

Activity Summary

Ki 2 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 1
CHEMBL1918
Ki 7.11 7.11 78.0 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
Ki 6.25 6.25 559.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10821708 10.1021/jm9911682 Glutamate receptor ionotropic, kainate 1 1
10821708 10.1021/jm9911682 Glutamate receptor ionotropic, kainate 2 1
10821708 10.1021/jm9911682 Unchecked 1

Data from ChEMBL 36 via Core Engine