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Compound Detail

CHEMBL341325

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O=C(O)Cc1ccc(NC(=O)/C=C2\CC(C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1

Basic Information

ChEMBL ID CHEMBL341325
Phase Preclinical
Structure Type MOL
InChI Key UHOUISJDNQJLBA-YRNVUSSQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.3
MW (Da)
3.91
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16Cl2N2O5
MW 435.26
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.31

Activity Summary

Ki 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 7.72 7.72 19.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14552796 10.1016/j.bmcl.2003.06.001 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine