Compound Detail
CHEMBL75030
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Basic Information
| ChEMBL ID | CHEMBL75030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXNNPMSELIMMHU-UHFFFAOYSA-N |
4
Targets
9
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
216.3
MW (Da)
2.04
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.67
EC50 3 meas. best 8.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 8.93 | 8.93 | 1.2 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 8.67 | 8.67 | 2.1 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 8.66 | 8.66 | 2.2 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.63 | 8.63 | 2.3 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 8.45 | 8.45 | 3.5 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.9 | 6.795 | 125.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)85032-1 | Alpha-2A adrenergic receptor | 2 |
| - | 10.1016/0960-894X(94)85032-1 | Alpha-2B adrenergic receptor | 2 |
| - | 10.1016/0960-894X(94)85032-1 | Alpha-2C adrenergic receptor | 2 |
| - | 10.1016/0960-894X(94)85032-1 | Alpha-1A adrenergic receptor | 2 |
| - | 10.1016/0960-894X(94)85032-1 | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine