Compound Detail
CHEMBL215857
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Basic Information
| ChEMBL ID | CHEMBL215857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHWJVDNWRQSROE-GMUIIQOCSA-N |
| Parent Compound | CHEMBL1182160 |
| Active Moiety | CHEMBL1182160 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.39
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.69 | 6.69 | 204.2 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.3 | 6.3 | 501.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expr... | 17125266 |
| Alpha-1D adrenergic receptor | Ki | = | 204.17 | nM | 6.69 | Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expr... | 17125266 |
| Alpha-1B adrenergic receptor | Ki | = | 398.11 | nM | 6.4 | Displacement of [3H]prazosin from cloned human adrenergic alpha 1B receptor expr... | 17125266 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 501.19 | nM | 6.3 | Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus | 17125266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125266 | 10.1021/jm060358r | Alpha-1A adrenergic receptor | 1 |
| 17125266 | 10.1021/jm060358r | Alpha-1B adrenergic receptor | 1 |
| 17125266 | 10.1021/jm060358r | Alpha-1D adrenergic receptor | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine