Compound Detail
CHEMBL386836
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COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C.[I-]
Basic Information
| ChEMBL ID | CHEMBL386836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOZWOMMRIDTRJO-VOMIJIAVSA-M |
| Parent Compound | CHEMBL1185072 |
| Active Moiety | CHEMBL1185072 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.03
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel CHEMBL2096673 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel | Ki | = | 3600.0 | nM | 5.44 | Displacement of [125I]apamin from Wistar rat cortical apamin-sensitive site | 17125273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125273 | 10.1021/jm0607395 | Small conductance calcium-activated potassium channel | 1 |
Data from ChEMBL 36 via Core Engine