Compound Detail
CHEMBL2092927
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Basic Information
| ChEMBL ID | CHEMBL2092927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVYBIZHLZSDANU-KRWDZBQOSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
3.31
ALogP
7
HBA
0
HBD
43.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.91 | 6.91 | 122.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.84 | 6.84 | 144.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 6.18 | 6.18 | 667.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 122.0 | nM | 6.91 | Displacement of [3H]prazosin from Alpha-1A adrenergic receptor of rat submaxilla... | 9703460 |
| Adrenergic receptor alpha-1 | Ki | = | 144.0 | nM | 6.84 | Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor of rat cortical m... | 9703460 |
| Alpha-1B adrenergic receptor | Ki | = | 667.0 | nM | 6.18 | Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver memb... | 9703460 |
| Alpha-2A adrenergic receptor | Ki | = | 3000.0 | nM | 5.52 | Compound is evaluated for binding affinity towards Alpha-2A adrenergic receptor ... | 9703460 |
| Adrenergic receptor alpha-2 | Ki | = | 9000.0 | nM | 5.05 | Displacement of clonidine from Alpha-2 adrenergic receptor of rat cortical membr... | 9703460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703460 | 10.1021/jm970159v | Adrenergic receptor alpha-1 | 1 |
| 9703460 | 10.1021/jm970159v | Alpha-1A adrenergic receptor | 1 |
| 9703460 | 10.1021/jm970159v | Alpha-1B adrenergic receptor | 1 |
| 9703460 | 10.1021/jm970159v | Adrenergic receptor alpha-2 | 1 |
| 9703460 | 10.1021/jm970159v | Alpha-2A adrenergic receptor | 1 |
| 9703460 | 10.1021/jm970159v | Alpha-2B adrenergic receptor | 1 |
| 9703460 | 10.1021/jm970159v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine