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Compound Detail

CHEMBL4459618

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NS(=O)(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459618
Phase Preclinical
Structure Type MOL
InChI Key DCSSKDPTKQGWIZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.2
MW (Da)
3.34
ALogP
6
HBA
1
HBD
90.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12Br2N4O2S2
MW 492.22
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.57

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30579795 10.1016/j.bmcl.2018.12.036 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine