Compound Detail
CHEMBL545387
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Basic Information
| ChEMBL ID | CHEMBL545387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUWDLLSNJGKPKO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193909 |
| Active Moiety | CHEMBL1193909 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
2.76
ALogP
9
HBA
1
HBD
101.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.86 | 7.86 | 13.8 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 5.91 | 5.91 | 1230.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 13.8 | nM | 7.86 | Alpha-1-Adrenoceptor blocking activity as antagonism of (-)-norepinephrine induc... | 2863379 |
| Adrenergic receptor alpha-2 | Kd | = | 1230.27 | nM | 5.91 | Alpha-2-adrenoceptor blocking activity was determined by antagonism of clonidine... | 2863379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2863379 | 10.1021/jm00147a042 | Adrenergic receptor alpha-1 | 1 |
| 2863379 | 10.1021/jm00147a042 | Adrenergic receptor alpha-2 | 1 |
| 2863379 | 10.1021/jm00147a042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine