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Compound Detail

CHEMBL1669237

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

Basic Information

ChEMBL ID CHEMBL1669237
Phase Preclinical
Structure Type MOL
InChI Key BGRRQJRYEHXSQD-LMVFSUKVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
-0.74
ALogP
5
HBA
3
HBD
122.2
PSA (Ų)
0.57
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 C8H12N2O5
MW 216.19
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.82

Activity Summary

Ki 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21220180 10.1016/j.ejmech.2010.12.020 Unchecked 2
21220180 10.1016/j.ejmech.2010.12.020 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine