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Compound Detail

CHEMBL3342216

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CC(C)=CC(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=C(O)C(=O)C[C@]3(C)[C@H]3[C@@H](O)[C@H](O)[C@]4(C(=O)O)OC[C@]32[C@@H]14
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342216
Phase Preclinical
Structure Type MOL
InChI Key RIYGDELXURVOBZ-HVCNMUSHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

506.5
MW (Da)
0.43
ALogP
10
HBA
4
HBD
176.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H30O11
MW 506.50
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 3.67

Literature References

PubMed DOI Target Context # Activities
25179783 10.1021/jm5007534 Macrophage 3
25179783 10.1021/jm5007534 ADMET 1

Data from ChEMBL 36 via Core Engine