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Compound Detail

CHEMBL366443

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CN1/C(=C\c2cccc[n+]2C)Sc2ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1

Basic Information

ChEMBL ID CHEMBL366443
Phase Preclinical
Structure Type MOL
InChI Key MIVSISVRZIFGCA-UHFFFAOYSA-M
Parent Compound CHEMBL601137
Active Moiety CHEMBL601137
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.4
MW (Da)
3.05
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O3S2
MW 426.56
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.93

Activity Summary

EC50 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 6.62 6.62 240.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 240.0 nM 6.62 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