Compound Detail
CHEMBL44124
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Basic Information
| ChEMBL ID | CHEMBL44124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEKGPRMGBHNTFK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
5.50
ALogP
3
HBA
1
HBD
56.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.14 | 8.14 | 7.3 | 2 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 5.85 | 5.85 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 7.3 | nM | 8.14 | Inhibition of binding of [125I]HEAT to cloned human alpha-1A adrenergic receptor... | 10937709 |
| Alpha-1A adrenergic receptor | Ki | = | 7.3 | nM | 8.14 | In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor | 11459670 |
| Alpha-1D adrenergic receptor | Ki | = | 1400.0 | nM | 5.85 | Inhibition of binding of [125I]HEAT to cloned human alpha-1D adrenergic receptor... | 10937709 |
| Alpha-1D adrenergic receptor | Ki | = | 1400.0 | nM | 5.85 | In vitro binding affinity towards cloned human Alpha-1D adrenergic receptor | 11459670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10937709 | 10.1016/s0960-894x(00)00307-3 | Alpha-1A adrenergic receptor | 1 |
| 10937709 | 10.1016/s0960-894x(00)00307-3 | Alpha-1B adrenergic receptor | 1 |
| 10937709 | 10.1016/s0960-894x(00)00307-3 | Alpha-1D adrenergic receptor | 1 |
| 11459670 | 10.1016/s0960-894x(01)00320-1 | Alpha-1A adrenergic receptor | 1 |
| 11459670 | 10.1016/s0960-894x(01)00320-1 | Alpha-1B adrenergic receptor | 1 |
| 11459670 | 10.1016/s0960-894x(01)00320-1 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine