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Compound Detail

CHEMBL5559048

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N#Cc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5559048
Phase Preclinical
Structure Type MOL
InChI Key DRIGJSKIRIBIEA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.9
MW (Da)
2.42
ALogP
6
HBA
2
HBD
111.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClFN4O4S
MW 452.90
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -2.76

Activity Summary

EC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 750.0 nM 6.12 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