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Compound Detail

CHEMBL4749619

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CC(C)c1cc2c(cc1O)C[C@@H](O)[C@H]1[C@](C)(CO)CCC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749619
Phase Preclinical
Structure Type MOL
InChI Key WGRNQBCIHDDIMK-FUMNGEBKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
3.49
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H30O3
MW 318.46
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.53

Literature References

PubMed DOI Target Context # Activities
32786878 10.1021/acs.jnatprod.0c00291 Zika virus 1

Data from ChEMBL 36 via Core Engine