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Compound Detail

CHEMBL406391

1,10-EPOXYCOSTUNOLIDE
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C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@H]3O[C@]3(C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406391
Name 1,10-EPOXYCOSTUNOLIDE
Phase Preclinical
Structure Type MOL
InChI Key GEKKXBNQQCFXAH-CESRKTHKSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.76
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.29
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 C15H20O3
MW 248.32
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 3.83

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18271521 10.1021/jm701318x Platelet 1
1431933 10.1021/np50086a003 NON-PROTEIN TARGET 1
11902932 10.1021/jf0110809 Orobanche cernua var. cumana 1

Data from ChEMBL 36 via Core Engine