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Compound Detail

CHEMBL383680

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O=C1C=C(N2CCOCC2)C(=O)N1c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383680
Phase Preclinical
Structure Type MOL
InChI Key DBPOMJMEVNAMCN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
0.91
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.75
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 C14H13FN2O3
MW 276.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
16539371 10.1021/jm0509400 GABA-A receptor; anion channel 2
16539371 10.1021/jm0509400 Mus musculus 2
16539371 10.1021/jm0509400 No relevant target 1

Data from ChEMBL 36 via Core Engine