Compound Detail
CHEMBL75022
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Basic Information
| ChEMBL ID | CHEMBL75022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRQPJRQVNMYNSQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179430 |
| Active Moiety | CHEMBL1179430 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
2.79
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.8
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 4.8 | 4.8 | 15902.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 4.5 | 4.5 | 31754.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 15902.0 | nM | 4.8 | Tested for its binding affinity against alpha-1 receptor in rat brain membrane | 7914537 |
| Adrenergic receptor alpha-2 | Ki | = | 31754.0 | nM | 4.5 | Tested for its binding affinity against alpha-2 receptor in rat brain membrane | 7914537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7914537 | 10.1021/jm00041a011 | Alpha-2A adrenergic receptor | 1 |
| 7914537 | 10.1021/jm00041a011 | Adrenergic receptor alpha-1 | 1 |
| 7914537 | 10.1021/jm00041a011 | Adrenergic receptor alpha-2 | 1 |
| 7914537 | 10.1021/jm00041a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine