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Compound Detail

CHEMBL4088415

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CS(=O)(=O)Nc1ccncc1-c1ccccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL4088415
Phase Preclinical
Structure Type MOL
InChI Key QOBZFJAMXREUBZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
3.14
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.95
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 C13H11F3N2O2S
MW 316.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 4.92 4.92 11999.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28351592 10.1016/j.bmcl.2017.03.041 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine