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Compound Detail

CHEMBL4542628

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C=C1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4542628
Phase Preclinical
Structure Type MOL
InChI Key YYJRTJYCOMIDIC-HVNMYJMUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.32
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O2
MW 234.34
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 2.89

Literature References

PubMed DOI Target Context # Activities
31255927 10.1016/j.ejmech.2019.06.034 RAW264.7 2

Data from ChEMBL 36 via Core Engine