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Compound Detail

CHEMBL206122

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CCc1ccc2ncc(C(=O)O)c(O)c2c1

Basic Information

ChEMBL ID CHEMBL206122
Phase Preclinical
Structure Type MOL
InChI Key RESVKOSPFKHQBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
2.20
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO3
MW 217.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.59

Activity Summary

Ki 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 6.68 6.68 208.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16610795 10.1021/jm058057p GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine