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Compound Detail

CHEMBL3960689

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N#Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL3960689
Phase Preclinical
Structure Type MOL
InChI Key FMEBPOISCPKNAI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.2
MW (Da)
3.67
ALogP
3
HBA
1
HBD
70.0
PSA (Ų)
0.93
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 C13H8Cl2N2O2S
MW 327.19
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.47

Activity Summary

IC50 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 7.09 7.09 81.0 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