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Compound Detail

CHEMBL1778159

SINOLIGNAN B
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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)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1778159
Name SINOLIGNAN B
Phase Preclinical
Structure Type MOL
InChI Key PDLSJRZSXQFCFE-APVDPNJASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

724.7
MW (Da)
-2.25
ALogP
18
HBA
8
HBD
262.0
PSA (Ų)
0.13
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H40O18
MW 724.67
Aromatic Rings 2
Heavy Atoms 51
NP-Likeness 1.76

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