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Compound Detail

CHEMBL5558599

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O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(F)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558599
Phase Preclinical
Structure Type MOL
InChI Key HUAXHJYAVWQLLM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
2.69
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18ClF2N3O4S
MW 445.88
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -2.59

Activity Summary

EC50 2 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 400.0 nM 6.4 Antimalarial activity against asexual blood stage Plasmodium falciparum 3D7 asse... 38554474

Literature References

PubMed DOI Target Context # Activities
38554474 10.1016/j.ejmech.2024.116354 Plasmodium falciparum 1
38554474 10.1016/j.ejmech.2024.116354 HepG2 1

Data from ChEMBL 36 via Core Engine