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Compound Detail

CHEMBL5285799

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C[C@H]1C(=O)O[C@@H]2[C@H]1O[C@@]13O[C@]4(CC[C@@]5(C)C(=O)[C@@](C)(O)[C@]2(O)[C@@H]15)C[C@@]12OC(=O)C[C@@H]1OC(C)(C)[C@H]2C[C@@H](O)[C@@H]4C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285799
Phase Preclinical
Structure Type MOL
InChI Key GMAMWSYYSPPHAF-FDWDYJCWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

576.6
MW (Da)
-0.29
ALogP
12
HBA
3
HBD
175.1
PSA (Ų)
0.32
QED
2
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H36O12
MW 576.60
Aromatic Rings 0
Heavy Atoms 41
NP-Likeness 3.68

Literature References

PubMed DOI Target Context # Activities
29353722 10.1016/j.ejmech.2018.01.011 Hepatocyte 1

Data from ChEMBL 36 via Core Engine