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

CHEMBL270522

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
COc1c(C)c(CN(CCNc2ccnc3cc(Cl)ccc23)CC(C)C)c(OC)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270522
Phase Preclinical
Structure Type MOL
InChI Key SAHXQUQICXGKKL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

492.1
MW (Da)
6.94
ALogP
5
HBA
1
HBD
46.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34ClN3O2
MW 492.06
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.87

Activity Summary

IC50 2 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.39 7.065 40.6 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 40.6 nM 7.39 Antiparasitic activity against chloroquine-resistant Plasmodium falciparum K1 18260613
Plasmodium falciparum IC50 = 182.9 nM 6.74 Antiparasitic activity against chloroquine-sensitive Plasmodium falciparum 3D7 18260613

Literature References

PubMed DOI Target Context # Activities
18260613 10.1021/jm7009292 Plasmodium falciparum 2
18260613 10.1021/jm7009292 KB 1

Data from ChEMBL 36 via Core Engine