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Compound Detail

CHEMBL126288

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O=C(/C=C1\CC(C(=O)O)Nc2cc(Cl)cc(Cl)c21)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL126288
Phase Preclinical
Structure Type MOL
InChI Key HLHLASMGVJKRCF-JXMROGBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
4.28
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14Cl2N2O3
MW 377.23
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.37

Activity Summary

Ki 1 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 8.18 8.18 6.6 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