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Compound Detail

CHEMBL59724

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COC1OC(=O)c2[nH]cc3nc4ccccc4c-3c21

Basic Information

ChEMBL ID CHEMBL59724
Phase Preclinical
Structure Type MOL
InChI Key FUBSGKRHYLLNQX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
2.48
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.68
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 0.60

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
IC50 7.92 7.92 12.0 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