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

CHEMBL556672

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
COc1ccc(CCc2cccc(/N=c3\ccn(C)cc3Cl)c2)cc1.O=S(=O)(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL556672
Phase Preclinical
Structure Type MOL
InChI Key BUDHUSACADRPON-FKWCIMQXSA-N
Parent Compound CHEMBL1196360
Active Moiety CHEMBL1196360
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.9
MW (Da)
4.70
ALogP
3
HBA
0
HBD
26.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClF3N2O4S
MW 502.94
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.64

Activity Summary

IC50 2 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.29 5.285 5120.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 5120.0 nM 5.29 Antimalarial activity after 48 hrs against atovaquone-resistant Plasmodium falci... 19467600
Plasmodium falciparum IC50 = 5240.0 nM 5.28 Antimalarial activity after 48 hrs against chloroquine-resistant Plasmodium falc... 19467600

Literature References

PubMed DOI Target Context # Activities
19467600 10.1016/j.bmcl.2009.05.017 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine