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Compound Detail

CHEMBL596280

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Cc1cnc(NS(=O)(=O)c2ccccc2)s1

Basic Information

ChEMBL ID CHEMBL596280
Phase Preclinical
Structure Type MOL
InChI Key GWHSFDZPMCAQEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.25
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.91
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 C10H10N2O2S2
MW 254.34
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.32

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 4
32078764 10.1021/acsinfecdis.9b00482 Plasmodium berghei 2
32078764 10.1021/acsinfecdis.9b00482 Plasmodium falciparum 2
- 10.6019/CHEMBL3988442 Mycobacterium tuberculosis 2
19811921 10.1016/j.bmc.2009.09.030 Leishmania infantum 2
- 10.6019/CHEMBL3988442 Histidine--tRNA ligase 2
- 10.6019/CHEMBL3988442 Trypanosoma brucei 1
- 10.6019/CHEMBL3988442 ClpP1P2 1
- 10.6019/CHEMBL3988442 Leishmania donovani 1
- 10.6019/CHEMBL3988442 Coenzyme A biosynthesis bifunctional protein CoaBC 1
- 10.6019/CHEMBL3988442 Plasmodium falciparum 1
- 10.6019/CHEMBL3988442 Polyketide synthase Pks13 1
- 10.6019/CHEMBL3988442 Tryptophan--tRNA ligase 1
- 10.6019/CHEMBL3988442 Lysine--tRNA ligase 1
- 10.6019/CHEMBL3988442 Trypanosoma cruzi 1
32078764 10.1021/acsinfecdis.9b00482 HepG2 1
- 10.6019/CHEMBL3988442 Methionyl-tRNA synthetase, putative 1
- 10.6019/CHEMBL3507680 Unchecked 1
19811921 10.1016/j.bmc.2009.09.030 J774 1

Data from ChEMBL 36 via Core Engine