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Compound Detail

CHEMBL2322937

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COC(c1ccc(C(C)=O)cc1)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2322937
Phase Preclinical
Structure Type MOL
InChI Key SGTRIUAWIMXEQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
5.00
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26F2O3
MW 376.44
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.33

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