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Compound Detail

CHEMBL353185

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O=[N+]([O-])c1c(C(F)(F)F)n[nH]c1-c1ccc(C(F)(F)F)cc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353185
Phase Preclinical
Structure Type MOL
InChI Key ARFDJSCHMDHMGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.2
MW (Da)
5.04
ALogP
3
HBA
1
HBD
71.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H4F9N3O2
MW 393.16
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.11

Activity Summary

EC50 1 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptor 1, Kir6.2
CHEMBL2096972
 EC50 6.27 6.27 540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptor 1, Kir6.2 EC50 = 540.0 nM 6.27 Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocy... 14741296

Literature References

PubMed DOI Target Context # Activities
14741296 10.1016/j.bmcl.2003.10.066 Sulfonylurea receptor 1, Kir6.2 2

Data from ChEMBL 36 via Core Engine