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

CHEMBL584100

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
c1ccc(C2CC3(N4CCCC4)CCN(CCN4CCCC4)C2C(c2ccccc2)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL584100
Phase Preclinical
Structure Type MOL
InChI Key QKAHMGCMLSZVDU-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

443.7
MW (Da)
5.35
ALogP
3
HBA
0
HBD
9.7
PSA (Ų)
0.60
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 C30H41N3
MW 443.68
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.13

Activity Summary

IC50 5 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.3 6.3 500.0 2
Trypanosoma brucei rhodesiense
CHEMBL612348
 IC50 5.47 5.47 3380.0 1
L6
CHEMBL614793
 IC50 4.24 4.24 58220.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 500.0 nM 6.3 Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodi... 19879671
Plasmodium falciparum IC50 = 500.0 nM 6.3 Antiplasmodial activity against Plasmodium falciparum K1 infected in human blood... 20709557
Trypanosoma brucei rhodesiense IC50 = 3380.0 nM 5.47 Antiplasmodial activity against Trypanosoma brucei rhodesiense STIB 900 by micro... 19879671
L6 IC50 = 58220.0 nM 4.24 Cytotoxicity against rat L6 cells 19879671
L6 IC50 = 58220.0 nM 4.24 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