Compound Detail
CHEMBL143944
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Basic Information
| ChEMBL ID | CHEMBL143944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASDLXXUOHBNMMC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
2.43
ALogP
6
HBA
2
HBD
65.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.34 | 5.34 | 4600.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL2289 | Ki | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 20.0 | nM | 7.7 | Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3... | 10743949 |
| Adrenergic receptor alpha-2 | Ki | = | 4600.0 | nM | 5.34 | Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3... | 10743949 |
| Beta-2 adrenergic receptor | Ki | = | 4800.0 | nM | 5.32 | Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H... | 10743949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743949 | 10.1016/s0960-894x(00)00016-0 | Adrenergic receptor alpha-1 | 1 |
| 10743949 | 10.1016/s0960-894x(00)00016-0 | Adrenergic receptor alpha-2 | 1 |
| 10743949 | 10.1016/s0960-894x(00)00016-0 | Beta-1 adrenergic receptor | 1 |
| 10743949 | 10.1016/s0960-894x(00)00016-0 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine