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Compound Detail

CHEMBL338523

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CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL338523
Phase Preclinical
Structure Type MOL
InChI Key LGRDMLGTOXSFFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.8
MW (Da)
2.51
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.84
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 C13H18ClNO2
MW 255.75
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.66

Activity Summary

Ki 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate [NMDA] receptor
CHEMBL2094124
Ki 5.39 5.39 4100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9464369 10.1021/jm9704412 Glutamate [NMDA] receptor 1

Data from ChEMBL 36 via Core Engine