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Compound Detail

CHEMBL5414132

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N#Cc1c(Cl)cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5414132
Phase Preclinical
Structure Type MOL
InChI Key NRBXREVJHNKJFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.2
MW (Da)
4.56
ALogP
4
HBA
1
HBD
79.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7Cl2F3N2O3S
MW 411.19
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.84

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
 IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 12 IC50 = 4.0 nM 8.4 Inhibition of URAT1 (unknown origin) assessed as decrease in uric acid level mea... 37974965

Literature References

PubMed DOI Target Context # Activities
37974965 10.1039/d3md00316g Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine