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Compound Detail

CHEMBL154343

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COC(=O)c1cc2cc(OC)c(OC)cc2cn1

Basic Information

ChEMBL ID CHEMBL154343
Phase Preclinical
Structure Type MOL
InChI Key NVHPOVIVKRQNFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
2.04
ALogP
5
HBA
0
HBD
57.6
PSA (Ų)
0.78
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 C13H13NO4
MW 247.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.17

Activity Summary

Ki 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
6325688 10.1021/jm00371a002 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine