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Compound Detail

CHEMBL3236503

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CC(=O)O[C@H]1[C@H](OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H](OC(=O)c2ccc(O)cc2)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3236503
Phase Preclinical
Structure Type MOL
InChI Key YGUBZNGDFCPKFN-KWCXJFABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

580.5
MW (Da)
-0.44
ALogP
14
HBA
6
HBD
210.9
PSA (Ų)
0.22
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H32O14
MW 580.54
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 1.73

Literature References

PubMed DOI Target Context # Activities
24679441 10.1016/j.bmcl.2014.03.014 RAW264.7 7

Data from ChEMBL 36 via Core Engine