Compound Detail
CHEMBL214694
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Basic Information
| ChEMBL ID | CHEMBL214694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHHAAVCPJVMVLF-BDQAORGHSA-N |
| Parent Compound | CHEMBL1182143 |
| Active Moiety | CHEMBL1182143 |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
4.17
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.25
Kd 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.82 | 7.82 | 15.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.28 | 7.28 | 52.5 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 7.21 | 7.21 | 61.7 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Kd | 6.87 | 6.87 | 134.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 5.623 | nM | 8.25 | Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expr... | 17125266 |
| Alpha-1B adrenergic receptor | Ki | = | 10.96 | nM | 7.96 | Displacement of [3H]prazosin from cloned human adrenergic alpha 1B receptor expr... | 17125266 |
| Alpha-1D adrenergic receptor | Ki | = | 15.14 | nM | 7.82 | Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expr... | 17125266 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 52.48 | nM | 7.28 | Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus | 17125266 |
| Alpha-1D adrenergic receptor | Kd | = | 61.66 | nM | 7.21 | Activity at adrenergic alpha 1D receptor assessed as antagonism on noradrenaline... | 17125266 |
| Alpha-1B adrenergic receptor | Kd | = | 134.9 | nM | 6.87 | Activity at adrenergic alpha 1B receptor assessed as antagonsim of phenylephrine... | 17125266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125266 | 10.1021/jm060358r | Alpha-1A adrenergic receptor | 2 |
| 17125266 | 10.1021/jm060358r | Alpha-1B adrenergic receptor | 2 |
| 17125266 | 10.1021/jm060358r | Alpha-1D adrenergic receptor | 2 |
| 17125266 | 10.1021/jm060358r | 5-hydroxytryptamine receptor 1A | 1 |
| 17125266 | 10.1021/jm060358r | Alpha adrenergic receptor (1a and 1d) | 1 |
| 17125266 | 10.1021/jm060358r | Adrenergic receptors; alpha-1 A & B | 1 |
| 17125266 | 10.1021/jm060358r | Unchecked | 1 |
| 17125266 | 10.1021/jm060358r | Alpha adrenergic receptor 1A and 1B | 1 |
| 17125266 | 10.1021/jm060358r | Alpha adrenergic receptor 1A and 1D | 1 |
Data from ChEMBL 36 via Core Engine