Compound Detail
CHEMBL219718
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Basic Information
| ChEMBL ID | CHEMBL219718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLMAYMICDQACRV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.4
MW (Da)
4.03
ALogP
6
HBA
1
HBD
61.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.51 | 6.51 | 309.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.37 | 5.37 | 4265.8 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 4.72 | 4.72 | 19054.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 309.03 | nM | 6.51 | Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expr... | 17027264 |
| Alpha-1A adrenergic receptor | Ki | = | 4265.8 | nM | 5.37 | Displacement of [125I]BE2254 from human cloned adrenergic alpha 1A receptor expr... | 17027264 |
| Alpha-1B adrenergic receptor | Ki | = | 19054.61 | nM | 4.72 | Displacement of [125I]BE2254 from human cloned adrenergic alpha 1B receptor expr... | 17027264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17027264 | 10.1016/j.bmcl.2006.09.034 | Alpha-1A adrenergic receptor | 1 |
| 17027264 | 10.1016/j.bmcl.2006.09.034 | Alpha-1B adrenergic receptor | 1 |
| 17027264 | 10.1016/j.bmcl.2006.09.034 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine