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Compound Detail

CHEMBL2431520

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Cc1ccc(NC2=C(C(=O)O)C(=O)CS2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2431520
Phase Preclinical
Structure Type MOL
InChI Key ZUPKQUDJLJSCNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
2.33
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.82
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 C13H13NO3S
MW 263.32
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
24073986 10.1021/jm400938g Plasmodium falciparum 2
24073986 10.1021/jm400938g Dihydroorotate dehydrogenase (quinone), mitochondrial 1
24073986 10.1021/jm400938g Dihydroorotate dehydrogenase 1

Data from ChEMBL 36 via Core Engine