Compound Detail
CHEMBL2111605
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Basic Information
| ChEMBL ID | CHEMBL2111605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVEKKXRFQCNLQE-RPWUZVMVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.25
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 5.29 | 5.29 | 5128.6 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 4.49 | 4.49 | 32359.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 5128.61 | nM | 5.29 | pA2 value was measured in Alpha-1 adrenergic receptor against norepinephrine in ... | 1977906 |
| Adrenergic receptor alpha-2 | Kd | = | 32359.37 | nM | 4.49 | 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