Compound Detail
CHEMBL44294
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Basic Information
| ChEMBL ID | CHEMBL44294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXSHNGLATCDICJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
500.1
MW (Da)
6.15
ALogP
3
HBA
1
HBD
56.1
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 0.99 | nM | 9.0 | Inhibition of binding of [125I]HEAT to cloned human alpha-1A adrenergic receptor... | 10937709 |
| Alpha-1B adrenergic receptor | Ki | = | 280.0 | nM | 6.55 | Inhibition of binding of [125I]HEAT to cloned human alpha-1B adrenergic receptor... | 10937709 |
| Alpha-1D adrenergic receptor | Ki | = | 600.0 | nM | 6.22 | Inhibition of binding of [125I]HEAT to cloned human alpha-1D adrenergic receptor... | 10937709 |
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 |
Data from ChEMBL 36 via Core Engine