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Compound Detail

CHEMBL1778164

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COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1778164
Phase Preclinical
Structure Type MOL
InChI Key XHMZLRFGDPKVBR-FXQJJEIKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

738.7
MW (Da)
-1.94
ALogP
18
HBA
7
HBD
251.0
PSA (Ų)
0.13
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C34H42O18
MW 738.69
Aromatic Rings 2
Heavy Atoms 52
NP-Likeness 1.68

Literature References

PubMed DOI Target Context # Activities
21570846 10.1016/j.bmcl.2011.04.036 HeLa 1
21570846 10.1016/j.bmcl.2011.04.036 KB 1

Data from ChEMBL 36 via Core Engine