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Compound Detail

CHEMBL5422737

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COc1cc(CC[C@@H](O)C[C@H](O)CCc2cc(OC)c(O)c(OC)c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422737
Phase Preclinical
Structure Type MOL
InChI Key UEKHBUNMFZUBFK-IAGOWNOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
2.80
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H30O7
MW 406.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
38516598 10.1039/d3md00645j Unchecked 2

Data from ChEMBL 36 via Core Engine