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Compound Detail

CHEMBL51395

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CC1(C)CCC/C1=C(/C[C@H](N)C(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL51395
Phase Preclinical
Structure Type MOL
InChI Key GVUZUACYKWIPDH-FLOXNTQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
1.38
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19NO4
MW 241.29
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.36

Activity Summary

Ki 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 1
CHEMBL1918
Ki 6.63 6.63 236.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10969973 10.1016/s0960-894x(00)00346-2 Glutamate receptor ionotropic, kainate 1 1
10969973 10.1016/s0960-894x(00)00346-2 Glutamate receptor ionotropic, kainate 2 1
10969973 10.1016/s0960-894x(00)00346-2 Unchecked 1

Data from ChEMBL 36 via Core Engine