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Compound Detail

CHEMBL53775

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N[C@@H](C/C(=C\CCc1ccccc1)C(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL53775
Phase Preclinical
Structure Type MOL
InChI Key UVRPMBQEIDPPCK-OBIHZWKSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
1.43
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.65
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 C14H17NO4
MW 263.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.24

Activity Summary

Ki 2 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 1
CHEMBL1918
Ki 4.77 4.77 17100.0 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