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

CHEMBL475338

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)CCNC(=O)c1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475338
Phase Preclinical
Structure Type MOL
InChI Key MGMZYTQUJVLCAB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

509.1
MW (Da)
4.35
ALogP
6
HBA
3
HBD
89.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33ClN6O2
MW 509.05
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.97

Activity Summary

IC50 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.5 7.5 31.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 31.4 nM 7.5 Antimalarial activity after 24 hrs against chloroquine-resistant Plasmodium falc... 18226428

Literature References

PubMed DOI Target Context # Activities
18226428 10.1016/j.ejmech.2007.11.003 Plasmodium falciparum 3
18226428 10.1016/j.ejmech.2007.11.003 Unchecked 1
18226428 10.1016/j.ejmech.2007.11.003 MRC5 1

Data from ChEMBL 36 via Core Engine