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Compound Detail

CHEMBL2325201

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Cc1ccc(C#Cc2cccc(C#Cc3ccc(C)cc3)[n+]2C)cc1

Basic Information

ChEMBL ID CHEMBL2325201
Phase Preclinical
Structure Type MOL
InChI Key SVVLOFWADNKQSP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.93
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.44
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 C24H20N+
MW 322.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
IC50 6.54 6.54 285.0 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