Compound Detail
CHEMBL140477
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Basic Information
| ChEMBL ID | CHEMBL140477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRQFWOADIQJLOB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.33
ALogP
6
HBA
1
HBD
54.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 14.0 | nM | 7.85 | Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3... | 10743949 |
| Adrenergic receptor alpha-2 | Ki | = | 99.0 | nM | 7.0 | Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3... | 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 |
Data from ChEMBL 36 via Core Engine