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Compound Detail

CHEMBL122964

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COc1cc2c(c(OC)c1OC)C(=O)/C(=C/c1cc(F)c(OC)c(F)c1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122964
Phase Preclinical
Structure Type MOL
InChI Key YBCZZOUJOBYAFA-QPEQYQDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.3
MW (Da)
3.62
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16F2O6
MW 378.33
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
14552774 10.1016/j.bmcl.2003.07.003 K562 1

Data from ChEMBL 36 via Core Engine