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Compound Detail

CHEMBL182716

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c1cc2cc(c1)C[n+]1ccc(c3ccccc31)NCCCCCNc1cc[n+](c3ccccc13)C2

Basic Information

ChEMBL ID CHEMBL182716
Phase Preclinical
Structure Type MOL
InChI Key ZDUYZNASBKXXJH-NUOLXNBNSA-P
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
5.67
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.29
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 C31H32N4+2
MW 460.63
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness 0.28

Activity Summary

IC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel
CHEMBL2096673
IC50 7.51 7.51 31.0 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