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Compound Detail

CHEMBL181911

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

Basic Information

ChEMBL ID CHEMBL181911
Phase Preclinical
Structure Type MOL
InChI Key SYDOHXMPYHNWMB-ZWMGFUAFSA-P
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
5.84
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.34
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 C29H36N4+2
MW 440.64
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness 0.13

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel
CHEMBL2096673
IC50 7.92 7.92 12.0 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