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

CHEMBL472397

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)OCCC1(C)CC2(CCCC(C)C2)OO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472397
Phase Preclinical
Structure Type MOL
InChI Key WXENBGKOKGMJKY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.00
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.57
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 C14H24O4
MW 256.34
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.91

Activity Summary

EC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.96 6.95 109.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 109.0 nM 6.96 Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-s... 18993067
Plasmodium falciparum EC50 = 114.0 nM 6.94 Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-r... 18993067

Literature References

PubMed DOI Target Context # Activities
18993067 10.1016/j.bmcl.2008.10.083 Plasmodium falciparum 2
18993067 10.1016/j.bmcl.2008.10.083 Heme 1

Data from ChEMBL 36 via Core Engine