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Compound Detail

CHEMBL485805

ATRACTYLENOLIDE II
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C=C1CCC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485805
Name ATRACTYLENOLIDE II
Phase Preclinical
Structure Type MOL
InChI Key OQYBLUDOOFOBPO-KCQAQPDRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
3.38
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O2
MW 232.32
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.14

Literature References

PubMed DOI Target Context # Activities
22365756 10.1016/j.bmcl.2012.01.048 Bile acid receptor 7
6418860 10.1021/np50029a010 Hepatocyte 2
9544564 10.1021/np970430b Polyunsaturated fatty acid 5-lipoxygenase 1
9544564 10.1021/np970430b Prostaglandin G/H synthase 1 1
22365756 10.1016/j.bmcl.2012.01.048 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine