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Compound Detail

CHEMBL4442670

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C=C1[C@H]2C[C@@H](OC(C)=O)[C@]1(C)[C@@]1(C)CCC(C)=C[C@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442670
Phase Preclinical
Structure Type MOL
InChI Key BGSANDMRZPCQBG-OVYGPGRDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
3.40
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H24O3
MW 276.38
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 3.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30797671 10.1016/j.bmcl.2019.02.015 Bipolaris oryzae 3
30797671 10.1016/j.bmcl.2019.02.015 COLO 201 1

Data from ChEMBL 36 via Core Engine