Compound Detail
CHEMBL75201
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Basic Information
| ChEMBL ID | CHEMBL75201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICFHSWCDTICIIC-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
156.2
MW (Da)
-0.30
ALogP
4
HBA
0
HBD
34.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 4.93 | 4.93 | 11749.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 4.78 | 4.78 | 16595.9 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 4.78 | 4.78 | 16595.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor | Ki | = | 11748.98 | nM | 4.93 | Binding affinity towards human Alpha-2B adrenergic receptor by the displacement ... | - |
| Alpha-2A adrenergic receptor | Ki | = | 16595.87 | nM | 4.78 | Binding affinity towards human Alpha-2A adrenergic receptor by the displacement ... | - |
| Alpha-2C adrenergic receptor | Ki | = | 16595.87 | nM | 4.78 | Binding affinity towards human Alpha-2C adrenergic receptor by the displacement ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)85032-1 | Alpha-1A adrenergic receptor | 2 |
| - | 10.1016/0960-894X(94)85032-1 | Alpha-2A adrenergic receptor | 1 |
| - | 10.1016/0960-894X(94)85032-1 | Alpha-2B adrenergic receptor | 1 |
| - | 10.1016/0960-894X(94)85032-1 | Alpha-2C adrenergic receptor | 1 |
| - | 10.1016/0960-894X(94)85032-1 | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine