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Compound Detail

CHEMBL55031

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CCC[C@H]1C=C[C@@H](CCC)OO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55031
Phase Preclinical
Structure Type MOL
InChI Key FUFMDLHWHGNSTP-AOOOYVTPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

170.2
MW (Da)
2.84
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H18O2
MW 170.25
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.48

Literature References

PubMed DOI Target Context # Activities
15027875 10.1021/jm0305319 Homo sapiens 1
15027875 10.1021/jm0305319 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine