Compound Detail
CHEMBL477466
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Basic Information
| ChEMBL ID | CHEMBL477466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYTATKPYSHURLX-HNNXBMFYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.58
ALogP
5
HBA
3
HBD
75.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.25 | 7.25 | 56.7 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.44 | 6.44 | 365.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]CGP12177 from beta-1 adrenergic receptor in rat cerebral cor... | 18599160 |
| Adrenergic receptor alpha-1 | Ki | = | 56.7 | nM | 7.25 | Displacement of [3H]prazosin from alpha1 adrenergic receptor in rat cerebral cor... | 18599160 |
| Adrenergic receptor alpha-2 | Ki | = | 365.5 | nM | 6.44 | Displacement of [3H]clonidine from alpha2 adrenergic receptor in rat cerebral co... | 18599160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18599160 | 10.1016/j.ejmech.2008.05.019 | Rattus norvegicus | 24 |
| 18599160 | 10.1016/j.ejmech.2008.05.019 | Adrenergic receptor alpha-1 | 1 |
| 18599160 | 10.1016/j.ejmech.2008.05.019 | Adrenergic receptor alpha-2 | 1 |
| 18599160 | 10.1016/j.ejmech.2008.05.019 | Beta-1 adrenergic receptor | 1 |
| 18599160 | 10.1016/j.ejmech.2008.05.019 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine