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Compound Detail

CHEMBL186139

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c1ccc2c(c1)c1cc[n+]2CCCCCC[n+]2ccc(c3ccccc32)NCCCCCCN1

Basic Information

ChEMBL ID CHEMBL186139
Phase Preclinical
Structure Type MOL
InChI Key ZQNBIJZLMRIJDS-FUQISJQKSA-P
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.7
MW (Da)
6.23
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.31
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 C30H38N4+2
MW 454.66
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness 0.12

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel
CHEMBL2096673
IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15261276 10.1016/j.bmcl.2004.06.011 Small conductance calcium-activated potassium channel 1

Data from ChEMBL 36 via Core Engine