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Compound Detail

CHEMBL3740782

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C=C[C@]1(C)C=C2[C@@H](CC1)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740782
Phase Preclinical
Structure Type MOL
InChI Key HRWWBCRSPUEXDM-SCNSOLTMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.5
MW (Da)
4.08
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H32O2
MW 304.47
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 3.62

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26558315 10.1021/acs.jnatprod.5b00781 Candida albicans 1

Data from ChEMBL 36 via Core Engine