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Compound Detail

CHEMBL422094

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Nc1cc[n+](Cc2cccc(C[n+]3ccc(N)c4ccccc43)c2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL422094
Phase Preclinical
Structure Type MOL
InChI Key JYYNWLHQMJGCSY-UHFFFAOYSA-P
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
3.83
ALogP
2
HBA
2
HBD
59.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N4+2
MW 392.51
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.09

Activity Summary

IC50 2 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel
CHEMBL2096673
IC50 6.1 6.1 800.0 1
Rattus norvegicus
CHEMBL376
IC50 6.1 6.1 800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10669569 10.1021/jm9902537 Small conductance calcium-activated potassium channel 2
8863802 10.1021/jm950884a Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine