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Compound Detail

CHEMBL190957

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CC(C)CNC1=NS(=O)(=O)c2cc(F)c(F)cc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190957
Phase Preclinical
Structure Type MOL
InChI Key DSLBRPWBKMTAEO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
1.68
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13F2N3O2S
MW 289.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 5.25 5.25 5680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 5680.0 nM 5.25 Concentration required to inhibit insulin release in rat pancreatic islets by 50... 16033278

Literature References

PubMed DOI Target Context # Activities
16033278 10.1021/jm0580050 Rattus norvegicus 5

Data from ChEMBL 36 via Core Engine