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Compound Detail

CHEMBL260276

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COC(=O)C1CCC2(CC1)OOC1(CCCCC1)OOC1(CCCCC1)OO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260276
Phase Preclinical
Structure Type MOL
InChI Key QZGXDPSLSONTHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.22
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32O8
MW 400.47
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
18330976 10.1021/jm701417a Plasmodium falciparum 3

Data from ChEMBL 36 via Core Engine