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Compound Detail

CHEMBL240989

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CC(Cl)(Cl)C(NC(=O)c1ccc(I)cc1)N/C(=N/C#N)Nc1ccc(C(F)(F)F)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL240989
Phase Preclinical
Structure Type MOL
InChI Key VARZTOUSNAUVDK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

585.2
MW (Da)
4.49
ALogP
4
HBA
3
HBD
102.2
PSA (Ų)
0.12
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14Cl2F3IN6O
MW 585.16
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.72

Activity Summary

EC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-sensitive inward rectifier potassium channel 11
CHEMBL1886
 EC50 5.11 5.11 7762.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ATP-sensitive inward rectifier potassium channel 11 EC50 = 7762.47 nM 5.11 Channel opening activity at human bladder Kir6.2 channel containing SUR2B expres... 17973362

Literature References

PubMed DOI Target Context # Activities
17973362 10.1021/jm7010194 ATP-sensitive inward rectifier potassium channel 11 1

Data from ChEMBL 36 via Core Engine