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Compound Detail

CHEMBL4850577

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COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850577
Phase Preclinical
Structure Type MOL
InChI Key KABPASQHFAUTDF-XZUXRINTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
3.63
ALogP
8
HBA
0
HBD
89.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H26O8
MW 442.46
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.71

Literature References

PubMed DOI Target Context # Activities
33158578 10.1016/j.ejmech.2020.112982 Unchecked 1

Data from ChEMBL 36 via Core Engine