Compound Detail
CHEMBL2220978
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Basic Information
| ChEMBL ID | CHEMBL2220978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFLJBXISNFUYBH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.79
ALogP
5
HBA
0
HBD
34.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 1.259 | nM | 8.9 | Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO ce... | 27448917 |
| Alpha-1A adrenergic receptor | Ki | = | 3.467 | nM | 8.46 | Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO ce... | 27448917 |
| Alpha-1B adrenergic receptor | Ki | = | 5.248 | nM | 8.28 | Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO ce... | 27448917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27448917 | 10.1016/j.ejmech.2016.06.052 | Alpha-1B adrenergic receptor | 2 |
| 27448917 | 10.1016/j.ejmech.2016.06.052 | Alpha-1D adrenergic receptor | 2 |
| 27448917 | 10.1016/j.ejmech.2016.06.052 | Alpha-1A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine