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Compound Detail

CHEMBL1828813

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CCOC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1828813
Phase Preclinical
Structure Type MOL
InChI Key UDIKGLJGRHNOLH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.89
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30O6
MW 366.45
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 0.65

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 10.0 nM 8.0 Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... 21888440

Literature References

PubMed DOI Target Context # Activities
21888440 10.1021/jm200768h Plasmodium falciparum 1
21888440 10.1021/jm200768h Unchecked 1

Data from ChEMBL 36 via Core Engine