Compound Detail
CHEMBL111463
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Basic Information
| ChEMBL ID | CHEMBL111463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVFGLHKVXSNGFR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
2.27
ALogP
3
HBA
1
HBD
66.1
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.07 | 7.07 | 85.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.69 | 6.69 | 204.2 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 6.15 | 6.15 | 708.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL266 | Ki | 6.04 | 6.04 | 912.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 85.11 | nM | 7.07 | In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in... | 15163201 |
| Alpha-1A adrenergic receptor | Ki | = | 204.17 | nM | 6.69 | In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxilla... | 15163201 |
| Alpha-1D adrenergic receptor | Ki | = | 707.95 | nM | 6.15 | In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in r... | 15163201 |
| Alpha-2B adrenergic receptor | Ki | = | 912.01 | nM | 6.04 | In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal l... | 15163201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163201 | 10.1021/jm030551a | Alpha-1A adrenergic receptor | 3 |
| 15163201 | 10.1021/jm030551a | Alpha-1B adrenergic receptor | 3 |
| 15163201 | 10.1021/jm030551a | Alpha-2A adrenergic receptor | 3 |
| 15163201 | 10.1021/jm030551a | Unchecked | 3 |
| 15163201 | 10.1021/jm030551a | Canis familiaris | 3 |
| 15163201 | 10.1021/jm030551a | Alpha-1D adrenergic receptor | 1 |
| 15163201 | 10.1021/jm030551a | Alpha adrenergic receptor 1A and 1B | 1 |
| 15163201 | 10.1021/jm030551a | Alpha adrenergic receptor 1A and 1D | 1 |
| 15163201 | 10.1021/jm030551a | Alpha-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine