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Compound Detail

CHEMBL2181272

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COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc(OCc4ccccc4)c(CC=C(C)C)c3O[C@@H]1CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181272
Phase Preclinical
Structure Type MOL
InChI Key SKPALSARMUAGSS-IZLXSDGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
5.91
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
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 1.40

Literature References

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

Data from ChEMBL 36 via Core Engine