Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3221649

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)OC1(C)CCC2CC1OO[C@]2(/C=C\c1ccc(F)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3221649
Phase Preclinical
Structure Type MOL
InChI Key VSGQQNUGXZOXSJ-XVTLZKSMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
5.19
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25FO4
MW 396.46
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.31

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 29.0 nM 7.54 Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD00277A Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine