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Compound Detail

CHEMBL1095249

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

Basic Information

ChEMBL ID CHEMBL1095249
Phase Preclinical
Structure Type MOL
InChI Key DFMMGRNYUNRZMT-ZQDZILKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
2.67
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H24O2
MW 236.35
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.39

Literature References

PubMed DOI Target Context # Activities
20192236 10.1021/np9005053 RAW264.7 1

Data from ChEMBL 36 via Core Engine