Compound Detail
CHEMBL2111606
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Basic Information
| ChEMBL ID | CHEMBL2111606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUAAUDBUJSSOLX-NBGIEHNGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
4.31
ALogP
6
HBA
1
HBD
66.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 8.27 | 8.27 | 5.4 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 4.85 | 4.85 | 14125.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 5.37 | nM | 8.27 | pA2 value was measured in Alpha-1 adrenergic receptor against norepinephrine in ... | 1977906 |
| Adrenergic receptor alpha-2 | Kd | = | 14125.38 | nM | 4.85 | pA2 value was measured in Alpha-2 adrenergic receptor against clonidine in rat v... | 1977906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1977906 | 10.1021/jm00173a004 | Adrenergic receptor alpha-1 | 1 |
| 1977906 | 10.1021/jm00173a004 | Adrenergic receptor alpha-2 | 1 |
| 1977906 | 10.1021/jm00173a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine