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Compound Detail

CHEMBL2181289

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COc1cc2c(cc1OC)[C@@H]1[C@H](OCc3ccccc3)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181289
Phase Preclinical
Structure Type MOL
InChI Key LHCBITZCORRDLZ-IUAQSZDVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
6.08
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30O6
MW 486.56
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
23186287 10.1021/jm301488q NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine