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Compound Detail

CHEMBL2322936

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O=C(c1ccc2ccccc2c1)C(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2322936
Phase Preclinical
Structure Type MOL
InChI Key RZRWSSUSHJBYKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
3.29
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.69
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 C12H8F2O
MW 206.19
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.55

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