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Compound Detail

CHEMBL185463

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c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3ccccc32)NCCCCCN1

Basic Information

ChEMBL ID CHEMBL185463
Phase Preclinical
Structure Type MOL
InChI Key IOXVWOJJNCBJBX-XDHTVYJESA-P
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
5.45
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N4+2
MW 426.61
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness 0.13

Activity Summary

IC50 1 meas. best 8.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 3
CHEMBL3780
IC50 8.57 8.57 2.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23685886 10.1016/j.ejmech.2013.02.029 Small conductance calcium-activated potassium channel protein 3 1

Data from ChEMBL 36 via Core Engine