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Compound Detail

CHEMBL532276

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Cc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1

Basic Information

ChEMBL ID CHEMBL532276
Phase Preclinical
Structure Type MOL
InChI Key KHIWRNWCTVDZIA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

441.9
MW (Da)
2.86
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21ClFN3O4S
MW 441.91
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -2.68

Activity Summary

EC50 2 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 270.0 nM 6.57 Antimalarial activity against asexual blood stage Plasmodium falciparum 3D7 asse... 38554474

Literature References

PubMed DOI Target Context # Activities
20485427 10.1038/nature09107 Plasmodium falciparum 4
20485427 10.1038/nature09107 HepG2 1
20485427 10.1038/nature09107 Unchecked 1
- 10.6019/CHEMBL3433997 Solute carrier family 2, facilitated glucose transporter member 1 1
- 10.6019/CHEMBL3433997 Hexose transporter 1 1
- 10.6019/CHEMBL3433997 Glucose transporter 1
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