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Compound Detail

CHEMBL2325215

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C[n+]1c(C#Cc2cccc(Cl)c2)cccc1C#Cc1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL2325215
Phase Preclinical
Structure Type MOL
InChI Key OJDDWCMICYINIO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.3
MW (Da)
4.62
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14Cl2N+
MW 363.27
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
IC50 5.4 5.4 4019.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23473309 10.1021/jm301564f Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine