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Compound Detail

CHEMBL561868

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CCc1cc(=O)oc2c(C)c(OCc3ccc(C)cc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL561868
Phase Preclinical
Structure Type MOL
InChI Key FYWHZAVJOCMLNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
4.55
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O3
MW 308.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.44

Literature References

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

Data from ChEMBL 36 via Core Engine