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Compound Detail

CHEMBL550858

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Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL550858
Phase Preclinical
Structure Type MOL
InChI Key QCQNQYRVBTVEJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.62
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.72
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 C20H18O5
MW 338.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
19477652 10.1016/j.bmc.2009.05.014 Unchecked 1

Data from ChEMBL 36 via Core Engine