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Compound Detail

CHEMBL4752418

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CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)CC[C@@H](O)[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4752418
Phase Preclinical
Structure Type MOL
InChI Key BIKGCWNRKORTHO-SQGPQFPESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.5
MW (Da)
4.52
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.80
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 C20H30O2
MW 302.46
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.51

Literature References

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

Data from ChEMBL 36 via Core Engine