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Compound Detail

CHEMBL5427367

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Cc1ccc(OCc2cn(CC(=O)NCCCCNc3ccnc4cc(Cl)ccc34)nn2)cc1

Basic Information

ChEMBL ID CHEMBL5427367
Phase Preclinical
Structure Type MOL
InChI Key QWLJRTNQKMOQID-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.0
MW (Da)
4.38
ALogP
7
HBA
2
HBD
94.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN6O2
MW 478.98
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 4.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 4.08 4.08 83550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 83550.0 nM 4.08 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... 37163950

Literature References

PubMed DOI Target Context # Activities
37163950 10.1016/j.ejmech.2023.115458 Plasmodium falciparum 1
37163950 10.1016/j.ejmech.2023.115458 Vero 1

Data from ChEMBL 36 via Core Engine