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Compound Detail

CHEMBL5624669

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COc1ccc(C(c2ccccc2O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1

Basic Information

ChEMBL ID CHEMBL5624669
Phase Preclinical
Structure Type MOL
InChI Key FLUHTABMPATZFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.0
MW (Da)
5.51
ALogP
5
HBA
1
HBD
48.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26ClN3O2
MW 459.98
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.79 5.79 1620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 1620.0 nM 5.79 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... 37321109

Literature References

PubMed DOI Target Context # Activities
37321109 10.1016/j.ejmech.2023.115564 Plasmodium falciparum 2
37321109 10.1016/j.ejmech.2023.115564 Erythrocyte 1

Data from ChEMBL 36 via Core Engine