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Compound Detail

CHEMBL452503

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COc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452503
Phase Preclinical
Structure Type MOL
InChI Key LARSBBRPTLYPOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
6.07
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30O4
MW 394.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
8691205 10.1021/np50126a006 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine