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Compound Detail

CHEMBL1814443

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O=C1/C(=C/c2ccccc2F)Oc2cccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814443
Phase Preclinical
Structure Type MOL
InChI Key LACXMPZKSZMQHC-JYRVWZFOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

256.2
MW (Da)
3.15
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.80
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 C15H9FO3
MW 256.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.35

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