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Compound Detail

CHEMBL332334

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C=C(c1ccc(C)cc1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332334
Phase Preclinical
Structure Type MOL
InChI Key LWOOJJJWHAHKEA-GUTXKFCHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
1.77
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.77
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 C16H19NO4
MW 289.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.78

Activity Summary

Ki 2 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 2
CHEMBL3607
 Ki 8.59 8.59 2.6 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
 Ki 7.39 7.39 41.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, kainate 2 Ki = 2.6 nM 8.59 Inhibition of [3H]kainate binding at rat forebrain ionotropic glutamate receptor... 8809152
Glutamate receptor ionotropic, kainate 2 Ki = 41.1 nM 7.39 Inhibition of [3H]kainate binding at ionotropic glutamate receptor kainate 2 8809152

Literature References

PubMed DOI Target Context # Activities
8809152 10.1021/jm960155a Glutamate receptor ionotropic, kainate 2 5

Data from ChEMBL 36 via Core Engine