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Compound Detail

CHEMBL278800

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CCCOC(=O)Cc1c(C(=O)O)[nH]c2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL278800
Phase Preclinical
Structure Type MOL
InChI Key KDKFLAFVPKETLR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.7
MW (Da)
3.02
ALogP
3
HBA
2
HBD
79.4
PSA (Ų)
0.83
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 C14H14ClNO4
MW 295.72
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.64

Activity Summary

Ki 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 5.17 5.17 6800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1849994 10.1021/jm00108a007 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine