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Compound Detail

CHEMBL4573946

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COc1ncccc1NS(=O)(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4573946
Phase Preclinical
Structure Type MOL
InChI Key JOGLPCJDVBIZEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

599.3
MW (Da)
4.90
ALogP
8
HBA
1
HBD
99.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17Br2N5O3S2
MW 599.33
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
 IC50 5.39 5.39 4050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 12 IC50 = 4050.0 nM 5.39 Inhibition of human URAT1 expressed in HEK293 cells assessed as reduction in [8-... 30579795

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