Compound Detail
CHEMBL36622
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Basic Information
| ChEMBL ID | CHEMBL36622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYSZUJHYXCZAKI-CQSZACIVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.51
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.98 | 7.98 | 10.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.95 | 7.95 | 11.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.39 | 7.39 | 40.7 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.14 | 7.14 | 72.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 10.47 | nM | 7.98 | Displacement of [3H]prazosin from human recombinant alpha1D adrenergic receptor ... | 23252794 |
| Alpha-1A adrenergic receptor | Ki | = | 11.22 | nM | 7.95 | Displacement of [3H]prazosin from human recombinant alpha1A adrenergic receptor ... | 23252794 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 40.74 | nM | 7.39 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 23252794 |
| Alpha-1B adrenergic receptor | Ki | = | 72.44 | nM | 7.14 | Displacement of [3H]prazosin from human recombinant alpha1B adrenergic receptor ... | 23252794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23252794 | 10.1021/jm301525w | Alpha-1D adrenergic receptor | 1 |
| 23252794 | 10.1021/jm301525w | Alpha-1A adrenergic receptor | 1 |
| 23252794 | 10.1021/jm301525w | 5-hydroxytryptamine receptor 1A | 1 |
| 23252794 | 10.1021/jm301525w | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine