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Compound Detail

CHEMBL2113951

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CN(C)C(=O)n1cnc(S(=O)(=O)N(C)c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2113951
Phase Preclinical
Structure Type MOL
InChI Key UVPWRGZQCZCDHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
0.63
ALogP
6
HBA
0
HBD
88.4
PSA (Ų)
0.83
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 C12H15N5O3S
MW 309.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.48 6.48 333.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 333.0 nM 6.48 OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL2113921 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine