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Compound Detail

CHEMBL594418

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CC1(C)OC1COc1c2c(cc3oc(=O)ccc13)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594418
Phase Preclinical
Structure Type MOL
InChI Key XSBZPGZSRMEZOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
2.08
ALogP
6
HBA
0
HBD
70.4
PSA (Ų)
0.64
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 C15H14O6
MW 290.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.84

Literature References

PubMed DOI Target Context # Activities
19716307 10.1016/j.bmc.2009.08.002 U-937 2

Data from ChEMBL 36 via Core Engine