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Compound Detail

CHEMBL215037

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COc1cc2c(c(OC)c1OC)C(Cc1ccc3ccccc3c1)[N+](C)(C)CC2.[I-]

Basic Information

ChEMBL ID CHEMBL215037
Phase Preclinical
Structure Type MOL
InChI Key XMYKBPJMJSICCR-UHFFFAOYSA-M
Parent Compound CHEMBL1182150
Active Moiety CHEMBL1182150
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.78
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.58
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 C25H30INO3
MW 519.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.96

Activity Summary

Ki 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel
CHEMBL2096673
Ki 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17125273 10.1021/jm0607395 Small conductance calcium-activated potassium channel 2

Data from ChEMBL 36 via Core Engine