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Compound Detail

CHEMBL2322933

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CC1(C)C2CCC(C(O)C(F)(F)C(=O)c3ccc4c(c3)OCO4)C1C2

Basic Information

ChEMBL ID CHEMBL2322933
Phase Preclinical
Structure Type MOL
InChI Key YKRZWVJRXGAVES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.67
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.84
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 C19H22F2O4
MW 352.38
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.78

Literature References

PubMed DOI Target Context # Activities
23428109 10.1021/jm301805e HEK293 1
23428109 10.1021/jm301805e GABA-B receptor 1
23428109 10.1021/jm301805e GABA-A receptor; alpha-1/beta-2/gamma-2 1

Data from ChEMBL 36 via Core Engine