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Compound Detail

CHEMBL291491

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

Basic Information

ChEMBL ID CHEMBL291491
Phase Preclinical
Structure Type MOL
InChI Key OGVMNJLNYPBQAR-QNDCKANFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
2.61
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 C15H16F3NO4
MW 331.29
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.42

Activity Summary

Ki 2 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 1
CHEMBL1918
Ki 7.28 7.28 52.0 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
Ki 4.36 4.36 43929.0 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