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

CHEMBL560430

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
CCn1cc/c(=N\c2cccc(CCCc3ccccc3)c2)c(Cl)c1.O=S(=O)(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL560430
Phase Preclinical
Structure Type MOL
InChI Key CTEDZJZZKDRHLS-HDPAMLMOSA-N
Parent Compound CHEMBL1197133
Active Moiety CHEMBL1197133
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.9
MW (Da)
5.57
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClF3N2O3S
MW 500.97
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.63

Activity Summary

IC50 2 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.65 5.63 2250.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 2250.0 nM 5.65 Antimalarial activity after 48 hrs against atovaquone-resistant Plasmodium falci... 19467600
Plasmodium falciparum IC50 = 2430.0 nM 5.61 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