Compound Detail
CHEMBL2114065
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Basic Information
| ChEMBL ID | CHEMBL2114065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAGNYVZZZZFXBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.49
ALogP
5
HBA
1
HBD
60.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.24 | 8.24 | 5.8 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.52 | 6.52 | 302.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 5.76 | nM | 8.24 | Binding affinity against alpha-1 adrenergic receptor by measuring displacement o... | 8101878 |
| Adrenergic receptor alpha-2 | Ki | = | 302.0 | nM | 6.52 | Binding affinity against alpha-2 adrenergic receptor by measuring displacement o... | 8101878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8101878 | 10.1021/jm00067a017 | Rattus norvegicus | 2 |
| 8101878 | 10.1021/jm00067a017 | Adrenergic receptor alpha-1 | 1 |
| 8101878 | 10.1021/jm00067a017 | Adrenergic receptor alpha-2 | 1 |
| 8101878 | 10.1021/jm00067a017 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine