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Compound Detail

CHEMBL332467

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C=C(c1ccc(CC)cc1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O

Basic Information

ChEMBL ID CHEMBL332467
Phase Preclinical
Structure Type MOL
InChI Key NXZCKHMNOVMDOV-LZWOXQAQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.03
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 C17H21NO4
MW 303.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.73

Activity Summary

Ki 2 meas. best 8.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 2
CHEMBL3607
Ki 8.11 8.11 7.7 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
Ki 7.08 7.08 82.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine