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Compound Detail

CHEMBL1814456

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O=C1/C(=C/c2ccc(F)cc2F)Oc2cccc(F)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814456
Phase Preclinical
Structure Type MOL
InChI Key DBRDYOWOUMRINA-MLPAPPSSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.2
MW (Da)
3.72
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H7F3O2
MW 276.21
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
21699179 10.1021/jm200242p Unchecked 2
21699179 10.1021/jm200242p Huh-7 1
21699179 10.1021/jm200242p HEK293 1

Data from ChEMBL 36 via Core Engine