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Compound Detail

CHEMBL2181293

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COc1cc2c(cc1OC)C1=Cc3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181293
Phase Preclinical
Structure Type MOL
InChI Key XEAIEKKZGSYSJY-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
4.58
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22O5
MW 378.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.77

Literature References

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

Data from ChEMBL 36 via Core Engine