Compound Detail
CHEMBL102763
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Basic Information
| ChEMBL ID | CHEMBL102763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXQLSAWUSXSJTK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
198.3
MW (Da)
2.80
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.06 | 8.06 | 8.8 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.14 | 7.14 | 73.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 7.14 | 7.14 | 72.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 8.8 | nM | 8.06 | Displacement of [3H]rauwolscine from Alpha-2 adrenergic receptor of rat brain me... | 9301663 |
| Adrenergic receptor alpha-2 | Ki | = | 8.71 | nM | 8.06 | Binding affinity to alpha2-adrenoceptor (unknown origin) | 38889119 |
| Adrenergic receptor alpha-1 | Ki | = | 73.0 | nM | 7.14 | Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor of rat brain memb... | 9301663 |
| Adrenergic receptor alpha-1 | Ki | = | 72.44 | nM | 7.14 | Binding affinity to alpha1-adrenoceptor (unknown origin) | 38889119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301663 | 10.1021/jm960642q | Adrenergic receptor alpha-1 | 1 |
| 9301663 | 10.1021/jm960642q | Adrenergic receptor alpha-2 | 1 |
| 9301663 | 10.1021/jm960642q | Adrenergic receptor alpha | 1 |
| 38889119 | 10.1021/acs.jmedchem.4c01239 | Adrenergic receptor alpha-1 | 1 |
| 38889119 | 10.1021/acs.jmedchem.4c01239 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine