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Compound Detail

CHEMBL506920

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COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL506920
Phase Preclinical
Structure Type MOL
InChI Key FAWZJJGBNPBDHC-YTODNAJMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

798.8
MW (Da)
-1.56
ALogP
19
HBA
9
HBD
282.2
PSA (Ų)
0.08
QED
3
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H50O19
MW 798.79
Aromatic Rings 2
Heavy Atoms 56
NP-Likeness 1.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9834166 10.1021/np980147s Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine