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Compound Detail

CHEMBL5276119

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COC(=O)c1cc2c(cn1)[nH]c1ccc(O)cc12

Basic Information

ChEMBL ID CHEMBL5276119
Phase Preclinical
Structure Type MOL
InChI Key UULFOYXSWNADTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.2
MW (Da)
2.21
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H10N2O3
MW 242.23
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.30

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2093872
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33528252 10.1021/acs.jmedchem.0c01887 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine