Compound Detail
CHEMBL285367
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Basic Information
| ChEMBL ID | CHEMBL285367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAEPGZUGYMHCJE-QZTJIDSGSA-N |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
4.32
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.8
Ki 2 meas. best 8.68
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | Kd | 6.8 | 6.8 | 158.5 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.78 | 6.78 | 166.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.2 | 6.2 | 636.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 2.08 | nM | 8.68 | In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radiol... | - |
| Adrenergic receptor alpha-1 | Ki | = | 104.0 | nM | 6.98 | In vitro binding affinity at Alpha-1 adrenergic receptor by radioligand binding ... | - |
| Adrenergic receptor alpha-2 | Kd | = | 158.49 | nM | 6.8 | Evaluated for its postsynaptic Alpha-2 adrenergic receptor antagonist activity a... | - |
| Adrenergic receptor alpha-2 | Kd | = | 165.96 | nM | 6.78 | Evaluated for its presynaptic Alpha-2 adrenergic receptor antagonistic activity ... | - |
| Rattus norvegicus | IC50 | = | 636.0 | nM | 6.2 | Concentration required for its norepinephrine reuptake inhibitory activity in sy... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80353-X | Adrenergic receptor alpha-2 | 3 |
| - | 10.1016/S0960-894X(01)80353-X | Adrenergic receptor alpha-1 | 1 |
| - | 10.1016/S0960-894X(01)80353-X | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine