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Compound Detail

CHEMBL429280

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C[n+]1ccc2ccccc2c1CCCCc1c2ccccc2cc[n+]1C.[I-].[I-]

Basic Information

ChEMBL ID CHEMBL429280
Phase Preclinical
Structure Type MOL
InChI Key WJQZHZDHCVNMRC-UHFFFAOYSA-L
Parent Compound CHEMBL1185714
Active Moiety CHEMBL1185714
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.5
MW (Da)
4.21
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26I2N2
MW 596.29
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness 0.32

Activity Summary

Ki 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel
CHEMBL2096673
Ki 5.71 5.71 1962.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17867663 10.1021/jm070412j Small conductance calcium-activated potassium channel 2

Data from ChEMBL 36 via Core Engine