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Compound Detail

CHEMBL59286

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CC(C)=CC[C@H](C[C@H](N)C(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL59286
Phase Preclinical
Structure Type MOL
InChI Key YQLVVDPAYJAXJG-SFYZADRCSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

215.2
MW (Da)
0.85
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.57
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 C10H17NO4
MW 215.25
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.77

Activity Summary

Ki 2 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 1
CHEMBL1918
Ki 5.99 5.99 1015.0 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
Ki 4.37 4.37 42809.0 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