Compound Detail
CHEMBL56438
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Basic Information
| ChEMBL ID | CHEMBL56438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAZUXKZZDKCHKK-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
3.82
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 8.0 | 8.0 | 9.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.89 | 6.89 | 128.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 0.13 | nM | 9.89 | Binding affinity to the adrenergic receptor alpha-1D of rat aorta | 15055991 |
| Alpha-1D adrenergic receptor | Ki | = | 0.1288 | nM | 9.89 | Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed ... | 21514979 |
| Alpha-1B adrenergic receptor | Ki | = | 9.9 | nM | 8.0 | Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spl... | 15055991 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 36.0 | nM | 7.44 | Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H... | 15055991 |
| Alpha-1A adrenergic receptor | Ki | = | 128.0 | nM | 6.89 | In vitro binding affinity towards alpha-1A adrenergic receptor through displacem... | 15055991 |
| Alpha-1A adrenergic receptor | Ki | = | 130.0 | nM | 6.89 | Binding constant measured against Alpha-1A adrenergic receptor in human prostate... | 15664832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055991 | 10.1021/jm030944+ | Alpha-1A adrenergic receptor | 4 |
| 15055991 | 10.1021/jm030944+ | Alpha-1B adrenergic receptor | 4 |
| 15055991 | 10.1021/jm030944+ | Alpha-1D adrenergic receptor | 4 |
| 15055991 | 10.1021/jm030944+ | 5-hydroxytryptamine receptor 1A | 3 |
| 15664832 | 10.1016/j.bmcl.2004.11.032 | Alpha-1A adrenergic receptor | 1 |
| 21514979 | 10.1016/j.ejmech.2011.03.054 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine