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Compound Detail

CHEMBL2322944

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

Basic Information

ChEMBL ID CHEMBL2322944
Phase Preclinical
Structure Type MOL
InChI Key FKGFOFXDSNOJEH-CUEVNBJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
3.43
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20F2O2
MW 258.31
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.13

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