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Compound Detail

CHEMBL594887

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C=C(C)C(O)COc1cc2oc(=O)ccc2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594887
Phase Preclinical
Structure Type MOL
InChI Key KFAKUXNOLDEZAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
2.12
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H16O5
MW 276.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.35

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