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Compound Detail

CHEMBL3890592

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N#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL3890592
Phase Preclinical
Structure Type MOL
InChI Key BFINPWZIQLVHGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.7
MW (Da)
4.03
ALogP
3
HBA
1
HBD
70.0
PSA (Ų)
0.90
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 C14H8ClF3N2O2S
MW 360.74
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.16

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 6.96 6.96 111.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00191B Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine