Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5557938

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc(NCC(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5557938
Phase Preclinical
Structure Type MOL
InChI Key RZROBJKXTPPNMS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
2.07
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O4S
MW 389.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.31

Activity Summary

EC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 2100.0 nM 5.68 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