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Compound Detail

CHEMBL51460

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O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1ccc(I)cc1

Basic Information

ChEMBL ID CHEMBL51460
Phase Preclinical
Structure Type MOL
InChI Key NKOQDJNKUIVVCI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.2
MW (Da)
6.01
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.32
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12F6INO2
MW 539.21
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.86

Activity Summary

EC50 1 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-sensitive inward rectifier potassium channel 11
CHEMBL1886
EC50 6.81 6.81 154.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12729655 10.1016/s0960-894x(03)00205-1 ATP-sensitive inward rectifier potassium channel 11 1

Data from ChEMBL 36 via Core Engine