Compound Detail
CHEMBL222896
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Basic Information
| ChEMBL ID | CHEMBL222896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGOXMVBGBCZVNL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.0
MW (Da)
4.40
ALogP
7
HBA
0
HBD
50.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.76 | 7.76 | 17.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 0.8318 | nM | 9.08 | Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expr... | 17027264 |
| Alpha-1A adrenergic receptor | Ki | = | 3.467 | nM | 8.46 | Displacement of [125I]BE2254 from human cloned adrenergic alpha 1A receptor expr... | 17027264 |
| Alpha-1B adrenergic receptor | Ki | = | 17.38 | nM | 7.76 | 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 | 2 |
| 17027264 | 10.1016/j.bmcl.2006.09.034 | Alpha-1B adrenergic receptor | 2 |
| 17027264 | 10.1016/j.bmcl.2006.09.034 | Alpha-1D adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine