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Compound Detail

CHEMBL319071

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Oc1nc2ccccc2c2nc(C(F)(F)F)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL319071
Phase Preclinical
Structure Type MOL
InChI Key OVCXMIBVIDLCMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
2.00
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H5F3N4O
MW 254.17
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
1846920 10.1021/jm00105a044 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine