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Compound Detail

CHEMBL305360

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

Basic Information

ChEMBL ID CHEMBL305360
Phase Preclinical
Structure Type MOL
InChI Key KEKBFZOJPRPUAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
1.87
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.65
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 C14H10N2O3
MW 254.25
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.41

Activity Summary

IC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
IC50 9.7 9.7 0.2 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