Compound Detail
CHEMBL2153556
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Basic Information
| ChEMBL ID | CHEMBL2153556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRZQASDTTLSGGK-BTQNPOSSSA-N |
| Parent Compound | CHEMBL2220896 |
| Active Moiety | CHEMBL2220896 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.8
MW (Da)
3.17
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.76 | 7.76 | 17.4 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.47 | 7.47 | 33.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 3.981 | nM | 8.4 | Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in... | 23124215 |
| Alpha-1A adrenergic receptor | Ki | = | 5.623 | nM | 8.25 | Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in... | 23124215 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 17.38 | nM | 7.76 | Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes... | 23124215 |
| Alpha-1B adrenergic receptor | Ki | = | 33.88 | nM | 7.47 | Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in... | 23124215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23124215 | 10.1016/j.ejmech.2012.09.049 | Alpha-1A adrenergic receptor | 1 |
| 23124215 | 10.1016/j.ejmech.2012.09.049 | Alpha-1B adrenergic receptor | 1 |
| 23124215 | 10.1016/j.ejmech.2012.09.049 | Alpha-1D adrenergic receptor | 1 |
| 23124215 | 10.1016/j.ejmech.2012.09.049 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine