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Compound Detail

CHEMBL594927

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Cc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594927
Phase Preclinical
Structure Type MOL
InChI Key JPYWNNRKLRWRBX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

297.8
MW (Da)
2.55
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.94
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 C12H12ClN3O2S
MW 297.77
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.91

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19811921 10.1016/j.bmc.2009.09.030 Leishmania infantum 2
19811921 10.1016/j.bmc.2009.09.030 J774 1

Data from ChEMBL 36 via Core Engine