Compound Detail
CHEMBL287935
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Basic Information
| ChEMBL ID | CHEMBL287935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVEKKXRFQCNLQE-DNQXCXABSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
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 4 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 8.59 | 8.49 | 2.6 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 4.22 | 4.2 | 60256.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 2.57 | nM | 8.59 | pA2 value was measured in Alpha-1 adrenergic receptor against norepinephrine in ... | 1977906 |
| Adrenergic receptor alpha-1 | Kd | = | 4.074 | nM | 8.39 | Ex vivo alpha-1-adrenoceptor blocking activity by antagonism of (-)-norepinephri... | 8098772 |
| Adrenergic receptor alpha-2 | Kd | = | 60255.96 | nM | 4.22 | pA2 value was measured in Alpha-2 adrenergic receptor against clonidine in rat v... | 1977906 |
| Adrenergic receptor alpha-2 | Kd | = | 66069.34 | nM | 4.18 | Tested for the alpha-2-adrenoceptor blocking activity by antagonism of clonidine... | 8098772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8098772 | 10.1021/jm00063a002 | Adrenergic receptor alpha-1 | 1 |
| 8098772 | 10.1021/jm00063a002 | Adrenergic receptor alpha-2 | 1 |
| 8098772 | 10.1021/jm00063a002 | Adrenergic receptor alpha | 1 |
| 1977906 | 10.1021/jm00173a004 | Adrenergic receptor alpha-1 | 1 |
| 1977906 | 10.1021/jm00173a004 | Adrenergic receptor alpha-2 | 1 |
| 1977906 | 10.1021/jm00173a004 | Unchecked | 1 |
| 10425105 | 10.1021/jm9910324 | Alpha-1A adrenergic receptor | 1 |
| 10425105 | 10.1021/jm9910324 | Alpha-1B adrenergic receptor | 1 |
| 10425105 | 10.1021/jm9910324 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine