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Compound Detail

CHEMBL571313

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O=C(/C=C/c1ccccc1)c1ccc(F)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571313
Phase Preclinical
Structure Type MOL
InChI Key SPRJNZICBSNGAX-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
3.86
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10F2O
MW 244.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
19883086 10.1021/jm901278z Unchecked 1
21112783 10.1016/j.bmcl.2010.10.063 Unchecked 1
21112783 10.1016/j.bmcl.2010.10.063 ADMET 1

Data from ChEMBL 36 via Core Engine