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Compound Detail

CHEMBL363534

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CCCCCCCCCCCCCCCC(=O)Oc1cc(O)cc(/C=C/c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363534
Phase Preclinical
Structure Type MOL
InChI Key FTXLVEXOJJWODD-QURGRASLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.7
MW (Da)
8.95
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.11
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42O3
MW 450.66
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
15501064 10.1016/j.bmcl.2004.09.022 RAW264.7 1

Data from ChEMBL 36 via Core Engine