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Compound Detail

CHEMBL1082138

XYLOCENSIN K
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COC(=O)C[C@H]1C(C)(C)[C@@H]2O[C@@]34C[C@@H]2C(=O)[C@]1(C)[C@H]3CC[C@@]1(C)[C@@H](c2ccoc2)OC(=O)C[C@]14O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1082138
Name XYLOCENSIN K
Phase Preclinical
Structure Type MOL
InChI Key OQQDWKJSAQRSAX-CJAIBOSUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
3.37
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.65
QED
0
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 C27H34O8
MW 486.56
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 2.97

Literature References

PubMed DOI Target Context # Activities
19908853 10.1021/np900640u NON-PROTEIN TARGET 2
19908853 10.1021/np900640u SW-620 1
19908853 10.1021/np900640u BT-474 1
19908853 10.1021/np900640u HepG2 1

Data from ChEMBL 36 via Core Engine