Compound Detail
CHEMBL517012
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CCOC(=O)c1nnn(-c2ccc(Cl)cc2[N+](=O)[O-])c1-c1ccc([N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL517012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMSBWUMVFGCJNV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
417.8
MW (Da)
3.58
ALogP
9
HBA
0
HBD
143.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium-activated potassium channel subunit alpha-1 CHEMBL4304 | IC50 | 6.55 | 6.55 | 281.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium-activated potassium channel subunit alpha-1 | IC50 | = | 281.84 | nM | 6.55 | Activation of BK channel-mediated vasorelaxation activity assessed as reduction ... | 19026552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19026552 | 10.1016/j.bmc.2008.10.068 | Calcium-activated potassium channel subunit alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine