Compound Detail
CHEMBL445346
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Basic Information
| ChEMBL ID | CHEMBL445346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFTXEYWITUUVIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
312.1
MW (Da)
3.96
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium-activated potassium channel subunit alpha-1 CHEMBL4304 | IC50 | 8.49 | 8.49 | 3.2 | 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 | = | 3.236 | nM | 8.49 | Activation of BK channel-mediated vasorelaxation activity assessed as reduction ... | 19026552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22960697 | 10.1016/j.ejmech.2012.08.016 | Mycobacterium kansasii | 6 |
| 22960697 | 10.1016/j.ejmech.2012.08.016 | Mycobacterium tuberculosis | 2 |
| 22960697 | 10.1016/j.ejmech.2012.08.016 | Mycobacterium avium | 2 |
| 19026552 | 10.1016/j.bmc.2008.10.068 | Calcium-activated potassium channel subunit alpha-1 | 1 |
| 22960697 | 10.1016/j.ejmech.2012.08.016 | Isocitrate lyase | 1 |
| 22960697 | 10.1016/j.ejmech.2012.08.016 | HepG2 | 1 |
| 22960697 | 10.1016/j.ejmech.2012.08.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine