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

CHEMBL556397

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
CCCNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NCCC)cc3)CC2)cc1.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL556397
Phase Preclinical
Structure Type MOL
InChI Key IBGRWQCBYOMKLF-UHFFFAOYSA-N
Parent Compound CHEMBL537516
Active Moiety CHEMBL537516
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.6
MW (Da)
3.66
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36Cl2N6
MW 479.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 29.0 nM 7.54 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 b... 17533134

Literature References

PubMed DOI Target Context # Activities
17533134 10.1016/j.bmc.2007.05.034 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine