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Compound Detail

CHEMBL5624653

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COc1cccc(C(c2ccc(F)c(Cl)c2)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5624653
Phase Preclinical
Structure Type MOL
InChI Key CHXPBWJPWLKJAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

512.4
MW (Da)
6.31
ALogP
5
HBA
1
HBD
48.8
PSA (Ų)
0.34
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24Cl2FN3O2
MW 512.41
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.84 5.84 1460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 1460.0 nM 5.84 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