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Compound Detail

CHEMBL292683

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O=C(O)[C@@H]1C[C@H](C(=O)OCc2ccccc2)c2c(Cl)cc(Cl)cc2N1

Basic Information

ChEMBL ID CHEMBL292683
Phase Preclinical
Structure Type MOL
InChI Key BOCRIMBCASJYAV-WFASDCNBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

380.2
MW (Da)
4.09
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.78
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 C18H15Cl2NO4
MW 380.23
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.63 5.63 2330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 2330.0 nM 5.63 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