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Compound Detail

CHEMBL3234069

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CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(N)(=O)=O)c4)nn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3234069
Phase Preclinical
Structure Type MOL
InChI Key FSQQVDWFEFMBIK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
2.11
ALogP
7
HBA
1
HBD
124.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4O4S2
MW 428.50
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.89

Activity Summary

IC50 2 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 8.36 8.36 4.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 4.4 nM 8.36 Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 24568587
Plasmodium falciparum IC50 = 4.4 nM 8.36 Antimalarial activity against drug-sensitive Plasmodium falciparum NF54 24568587

Literature References

PubMed DOI Target Context # Activities
24568587 10.1021/jm500098s Plasmodium berghei 2
24568587 10.1021/jm500098s Plasmodium falciparum 2
24568587 10.1021/jm500098s Mus musculus 1
24568587 10.1021/jm500098s No relevant target 1

Data from ChEMBL 36 via Core Engine