Compound Detail
CHEMBL351897
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Basic Information
| ChEMBL ID | CHEMBL351897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBRXTUGRUXGBPX-DJNXLDHESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
3.10
ALogP
8
HBA
1
HBD
107.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 8.97 | 8.27 | 1.1 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 5.15 | 5.115 | 7079.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 1.072 | nM | 8.97 | Alpha-1 Adrenoceptor blocking activity as antagonism of norepinephrine-induced c... | 8096245 |
| Adrenergic receptor alpha-1 | Kd | = | 26.92 | nM | 7.57 | Alpha-1 Adrenoceptor blocking activity as antagonism of norepinephrine-induced c... | 8096245 |
| Adrenergic receptor alpha-2 | Kd | = | 7079.46 | nM | 5.15 | Alpha-2 Adrenoceptor blocking activity as antagonism of clonidine-induced depres... | 8096245 |
| Adrenergic receptor alpha-2 | Kd | = | 8317.64 | nM | 5.08 | Alpha-2 Adrenoceptor blocking activity as antagonism of clonidine-induced depres... | 8096245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8096245 | 10.1021/jm00058a005 | Adrenergic receptor alpha-1 | 2 |
| 8096245 | 10.1021/jm00058a005 | Adrenergic receptor alpha-2 | 2 |
| 8096245 | 10.1021/jm00058a005 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine