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Compound Detail

CHEMBL3394251

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CS(=O)(=O)c1cc(-c2cccc(Br)c2)[nH]c(=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3394251
Phase Preclinical
Structure Type MOL
InChI Key OHJLDSMCXSQARJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.2
MW (Da)
2.21
ALogP
3
HBA
1
HBD
67.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10BrNO3S
MW 328.19
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
25486447 10.1021/jm5012947 Mycobacterium tuberculosis 1
25486447 10.1021/jm5012947 Thymidylate kinase 1

Data from ChEMBL 36 via Core Engine