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Compound Detail

CHEMBL396521

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C[C@@H]1CC[C@H]2[C@@](C)(CO)[C@H]3C[C@@]12CC[C@@]3(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL396521
Phase Preclinical
Structure Type MOL
InChI Key YULHLOUAHSEHLD-FVUFVHQMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

238.4
MW (Da)
2.58
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.74
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 C15H26O2
MW 238.37
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 2.86

Literature References

PubMed DOI Target Context # Activities
17663539 10.1021/jm070295s SARS-CoV 5
17663539 10.1021/jm070295s Vero 1

Data from ChEMBL 36 via Core Engine