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Compound Detail

CHEMBL60349

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O=C1OC(O)c2c1[nH]cc1nc3ccccc3c2-1

Basic Information

ChEMBL ID CHEMBL60349
Phase Preclinical
Structure Type MOL
InChI Key ZWZABRHIOTTXHX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

240.2
MW (Da)
1.83
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8N2O3
MW 240.22
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.59

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
IC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7837230 10.1021/jm00001a024 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine