Compound Detail
CHEMBL76457
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Basic Information
| ChEMBL ID | CHEMBL76457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHNAVCNEASQADL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
238.1
MW (Da)
2.92
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL266 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 210.0 | nM | 6.68 | Displacement of rauwolscine from human Alpha-2A adrenergic receptor expressed in... | 9016324 |
| Alpha-2B adrenergic receptor | Ki | = | 1500.0 | nM | 5.82 | Displacement of rauwolscine from rat Alpha-2B adrenergic receptor expressed in C... | 9016324 |
| Alpha-2C adrenergic receptor | Ki | = | 2400.0 | nM | 5.62 | Displacement of rauwolscine from human Alpha-2C adrenergic receptor expressed in... | 9016324 |
| Adrenergic receptor alpha-1 | Ki | = | 11000.0 | nM | 4.96 | Displacement of prazosin from Alpha-1 adrenergic receptors of human cerebral cor... | 9016324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9016324 | 10.1021/jm9605142 | Adrenergic receptor alpha-1 | 1 |
| 9016324 | 10.1021/jm9605142 | Alpha-2A adrenergic receptor | 1 |
| 9016324 | 10.1021/jm9605142 | Alpha-2B adrenergic receptor | 1 |
| 9016324 | 10.1021/jm9605142 | Alpha-2C adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine