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Compound Detail

CHEMBL1437288

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N[C@]1(C(=O)O)C[C@@H](C(=O)O)C1

Basic Information

ChEMBL ID CHEMBL1437288
Phase Preclinical
Structure Type MOL
InChI Key GGMYWPBNZXRMME-HSRNZHMGSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

159.1
MW (Da)
-0.74
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H9NO4
MW 159.14
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.71

Activity Summary

EC50 2 meas. best 6.75
IC50 1 meas. best 6.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.79 6.79 163.0 1
Glutamate NMDA receptor
CHEMBL1907608
EC50 6.75 5.765 180.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1361579 10.1021/jm00102a015 Glutamate NMDA receptor 3

Data from ChEMBL 36 via Core Engine