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Compound Detail

CHEMBL425141

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CCN1C(=O)CS/C1=C\c1sc2ccccc2[n+]1CC.Cc1ccc(S(=O)(=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425141
Phase Preclinical
Structure Type MOL
InChI Key RVNQKAHNQNZIIO-UHFFFAOYSA-M
Parent Compound CHEMBL1183877
Active Moiety CHEMBL1183877
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.10
ALogP
3
HBA
0
HBD
24.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O4S3
MW 476.65
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.28 6.28 520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 520.0 nM 6.28 In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... 11855978

Literature References

PubMed DOI Target Context # Activities
11855978 10.1021/jm0155704 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine