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Compound Detail

CHEMBL362721

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CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CCc1ccccc1

Basic Information

ChEMBL ID CHEMBL362721
Phase Preclinical
Structure Type MOL
InChI Key ULFIJMOTDRIEPH-XMMPIXPASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
5.25
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N2
MW 340.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15324906 10.1016/j.bmcl.2004.06.070 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine