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Compound Detail

CHEMBL1774721

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O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1774721
Phase Preclinical
Structure Type MOL
InChI Key PVPDIJGSCANSAG-YDUAIELLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
0.81
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H32O9
MW 476.52
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 1.65

Literature References

PubMed DOI Target Context # Activities
21504848 10.1016/j.bmcl.2011.03.074 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine