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Compound Detail

CHEMBL75373

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COC(=O)c1cc2c3ccccc3n(C(C)=O)c2cn1

Basic Information

ChEMBL ID CHEMBL75373
Phase Preclinical
Structure Type MOL
InChI Key MBDNGZRFJGFGGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.64
ALogP
5
HBA
0
HBD
61.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O3
MW 268.27
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2167977 10.1021/jm00171a007 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine