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Compound Detail

CHEMBL1814455

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CCCCc1ccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814455
Phase Preclinical
Structure Type MOL
InChI Key AUCGPUPGQXJCTN-MFOYZWKCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
4.92
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.75
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 C19H16F2O2
MW 314.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.41

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