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Compound Detail

CHEMBL2322945

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C/C=C/C=C/C(O)C(F)(F)C(=O)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2322945
Phase Preclinical
Structure Type MOL
InChI Key MJKTVZAPVZOHSG-BSWSSELBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.73
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18F2O2
MW 232.27
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
23428109 10.1021/jm301805e GABA-A receptor; alpha-1/beta-2/gamma-2 1
23428109 10.1021/jm301805e GABA-B receptor 1

Data from ChEMBL 36 via Core Engine