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Compound Detail

CHEMBL526112

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O=C(O[C@H]1[C@H](Oc2ccc(O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL526112
Phase Preclinical
Structure Type MOL
InChI Key AKTHZKZTUWBLRC-WIMVFMHDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
-0.45
ALogP
11
HBA
7
HBD
186.4
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H20O11
MW 424.36
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.76

Literature References

PubMed DOI Target Context # Activities
18763827 10.1021/np8002518 Unchecked 4

Data from ChEMBL 36 via Core Engine