Compound Detail
CHEMBL42220
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Basic Information
| ChEMBL ID | CHEMBL42220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGCLDRKORPAFBZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
495.7
MW (Da)
5.51
ALogP
4
HBA
1
HBD
65.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 7.5 | nM | 8.12 | Inhibition of binding of [125I]HEAT to cloned human alpha-1A adrenergic receptor... | 10937709 |
| Alpha-1B adrenergic receptor | Ki | = | 570.0 | nM | 6.24 | Inhibition of binding of [125I]HEAT to cloned human alpha-1B adrenergic receptor... | 10937709 |
| Alpha-1D adrenergic receptor | Ki | = | 710.0 | nM | 6.15 | 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