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Compound Detail

CHEMBL5556500

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N#Cc1cccc(NC(=O)CNc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5556500
Phase Preclinical
Structure Type MOL
InChI Key ACZHTGHKFDRQRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.9
MW (Da)
2.28
ALogP
6
HBA
2
HBD
111.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClN4O4S
MW 434.91
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -2.74

Activity Summary

EC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 1500.0 nM 5.82 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