Compound Detail
CHEMBL433033
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL433033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAEPGZUGYMHCJE-ZWKOTPCHSA-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 6.68
Ki 2 meas. best 8.34
IC50 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.72 | 6.72 | 189.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | Kd | 6.68 | 6.68 | 208.9 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.65 | 6.65 | 223.9 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.84 | 5.84 | 1450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 4.56 | nM | 8.34 | In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radiol... | - |
| Adrenergic receptor alpha-1 | Ki | = | 189.0 | nM | 6.72 | In vitro binding affinity at Alpha-1 adrenergic receptor by radioligand binding ... | - |
| Adrenergic receptor alpha-2 | Kd | = | 208.93 | nM | 6.68 | Evaluated for its postsynaptic Alpha-2 adrenergic receptor antagonist activity a... | - |
| Adrenergic receptor alpha-2 | Kd | = | 223.87 | nM | 6.65 | Evaluated for its presynaptic Alpha-2 adrenergic receptor antagonistic activity ... | - |
| Rattus norvegicus | IC50 | = | 1450.0 | nM | 5.84 | 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