Compound Detail
CHEMBL160763
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Basic Information
| ChEMBL ID | CHEMBL160763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFUGRABRLLQWMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.06
ALogP
5
HBA
0
HBD
34.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.51 | 6.51 | 307.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 4.0 | nM | 8.4 | Compound was tested for the inhibition of [3H]prazosin binding Alpha-2 adrenergi... | 6123600 |
| Adrenergic receptor alpha-2 | Ki | = | 307.0 | nM | 6.51 | Compound was tested for the inhibition of [3H]clonidine binding Alpha-2 adrenerg... | 6123600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6123600 | 10.1021/jm00343a015 | Adrenergic receptor alpha-2 | 1 |
| 6123600 | 10.1021/jm00343a015 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine