Compound Detail
CHEMBL1259217
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Basic Information
| ChEMBL ID | CHEMBL1259217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHCPMAKOQMYGRA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
2.87
ALogP
7
HBA
0
HBD
50.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 10.17 | 10.17 | 0.1 | 1 |
| Alpha-1B adrenergic receptor CHEMBL3122 | Ki | 9.44 | 9.44 | 0.4 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 0.067 | nM | 10.17 | Displacement of [3H]prozosin from bovine cloned Alpha-1A receptor expressed in B... | 20857909 |
| Alpha-1B adrenergic receptor | Ki | = | 0.36 | nM | 9.44 | Displacement of [3H]prozosin from hamster cloned alpha-1b receptor | 20857909 |
| Alpha-1D adrenergic receptor | Ki | = | 2.8 | nM | 8.55 | Displacement of [3H]prozosin from rat cloned alpha1d receptor | 20857909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20857909 | 10.1021/jm100652h | Alpha-1A adrenergic receptor | 1 |
| 20857909 | 10.1021/jm100652h | Alpha-1B adrenergic receptor | 1 |
| 20857909 | 10.1021/jm100652h | Alpha-1D adrenergic receptor | 1 |
| 20857909 | 10.1021/jm100652h | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine