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Compound Detail

CHEMBL1096220

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C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096220
Phase Preclinical
Structure Type MOL
InChI Key CESATEXQMONATC-UHTWSYAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
3.90
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.61
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 C15H22O
MW 218.34
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 2.51

Literature References

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

Data from ChEMBL 36 via Core Engine