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Compound Detail

CHEMBL125757

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COc1ccc(/C=C2\Oc3cc(OC)c(OC)c(OC)c3C2=O)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125757
Phase Preclinical
Structure Type MOL
InChI Key YKNBNVAZPPIFFW-ZSOIEALJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.3
MW (Da)
3.48
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.76
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 C19H17FO6
MW 360.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.01

Literature References

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

Data from ChEMBL 36 via Core Engine