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

CHEMBL571934

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
CN(C)C12CCN(CCN3CCCC3)C(C(c3ccccc3)C1)C(c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571934
Phase Preclinical
Structure Type MOL
InChI Key DSBAUSQCZVZXKB-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
4.82
ALogP
3
HBA
0
HBD
9.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39N3
MW 417.64
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.29

Activity Summary

IC50 5 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.23 6.23 590.0 2
Trypanosoma brucei rhodesiense
CHEMBL612348
 IC50 5.88 5.88 1320.0 1
L6
CHEMBL614793
 IC50 4.09 4.09 80410.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 590.0 nM 6.23 Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodi... 19879671
Plasmodium falciparum IC50 = 590.0 nM 6.23 Antiplasmodial activity against Plasmodium falciparum K1 infected in human blood... 20709557
Trypanosoma brucei rhodesiense IC50 = 1320.0 nM 5.88 Antiplasmodial activity against Trypanosoma brucei rhodesiense STIB 900 by micro... 19879671
L6 IC50 = 80410.0 nM 4.09 Cytotoxicity against rat L6 cells 19879671
L6 IC50 = 80410.0 nM 4.09 Cytotoxicity against rat L6 cells 20709557

Literature References

PubMed DOI Target Context # Activities
19879671 10.1016/j.ejmech.2009.09.040 Unchecked 2
19879671 10.1016/j.ejmech.2009.09.040 Plasmodium falciparum 1
19879671 10.1016/j.ejmech.2009.09.040 Trypanosoma brucei rhodesiense 1
19879671 10.1016/j.ejmech.2009.09.040 L6 1
20709557 10.1016/j.bmc.2010.07.046 Plasmodium falciparum 1
20709557 10.1016/j.bmc.2010.07.046 L6 1
20709557 10.1016/j.bmc.2010.07.046 Unchecked 1

Data from ChEMBL 36 via Core Engine