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Compound Detail

CHEMBL332126

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C=C(C)c1ccc(C(=C)[C@@H]2CN[C@H](C(=O)O)[C@H]2CC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332126
Phase Preclinical
Structure Type MOL
InChI Key ZMTFGJYYASDXLJ-ZOBUZTSGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.50
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.75
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 C18H21NO4
MW 315.37
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.05

Activity Summary

Ki 2 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
 Ki 5.64 5.64 2303.3 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3607
 Ki 5.27 5.27 5400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, kainate 2 Ki = 2303.3 nM 5.64 Inhibition of [3H]kainate binding at ionotropic glutamate receptor kainate 2 8809152
Glutamate receptor ionotropic, kainate 2 Ki = 5400.0 nM 5.27 Inhibition of [3H]kainate binding at rat forebrain ionotropic glutamate receptor... 8809152

Literature References

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

Data from ChEMBL 36 via Core Engine