Compound Detail
CHEMBL17648
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Basic Information
| ChEMBL ID | CHEMBL17648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIPMWEOMYMZBAQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
176.3
MW (Da)
1.89
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 420.0 | nM | 6.38 | Displacement of [3H]clonidine from calf cerebral cortex alpha-2 adrenergic recep... | 6088770 |
| Alpha-1A adrenergic receptor | Ki | = | 2500.0 | nM | 5.6 | Displacement of [3H]prazosin from calf cerebral cortex alpha-1 adrenergic recept... | 6088770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6088770 | 10.1021/jm00375a017 | Unchecked | 2 |
| 6088770 | 10.1021/jm00375a017 | Alpha-1A adrenergic receptor | 1 |
| 6088770 | 10.1021/jm00375a017 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine