Compound Detail
CHEMBL582863
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Basic Information
| ChEMBL ID | CHEMBL582863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFDKEGHUMFONNH-OAHLLOKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
2.59
ALogP
6
HBA
3
HBD
85.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.21 | 7.21 | 60.9 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.96 | 6.96 | 108.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.28 | 6.28 | 530.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 60.9 | nM | 7.21 | Displacement of [3H]Prazosin from alpha1 adrenergic receptor in Wistar rat cereb... | 19647907 |
| Adrenergic receptor alpha-2 | Ki | = | 108.8 | nM | 6.96 | Displacement of [3H]Clonidine from alpha2 adrenergic receptor in Wistar rat cere... | 19647907 |
| Unchecked | Ki | = | 530.6 | nM | 6.28 | Displacement of [3H]CGP12177 from beta-1 adrenergic receptor in Wistar rat cereb... | 19647907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19647907 | 10.1016/j.ejmech.2009.07.012 | Rattus norvegicus | 18 |
| 19647907 | 10.1016/j.ejmech.2009.07.012 | Unchecked | 1 |
| 19647907 | 10.1016/j.ejmech.2009.07.012 | Adrenergic receptor alpha-2 | 1 |
| 19647907 | 10.1016/j.ejmech.2009.07.012 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine