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Compound Detail

CHEMBL293275

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NC(=O)[C@H]1C[C@@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21

Basic Information

ChEMBL ID CHEMBL293275
Phase Preclinical
Structure Type MOL
InChI Key PUDDGGNDHQKNSV-XNCJUZBTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.1
MW (Da)
1.83
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10Cl2N2O3
MW 289.12
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.46 5.46 3440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 3440.0 nM 5.46 Concentration required to inhibit 50% of the specific binding of [3H]glycine to ... 1534583

Literature References

PubMed DOI Target Context # Activities
1534583 10.1021/jm00089a003 Glutamate NMDA receptor 1
1534583 10.1021/jm00089a003 Glutamate receptors; NMDA/AMPA 1

Data from ChEMBL 36 via Core Engine