Compound Detail
CHEMBL3342852
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Basic Information
| ChEMBL ID | CHEMBL3342852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKODHNGEOUFORT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
2.46
ALogP
6
HBA
0
HBD
34.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.07 | 8.07 | 8.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.83 | 7.83 | 14.8 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.85 | 6.85 | 141.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 8.511 | nM | 8.07 | Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor express... | 25261823 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 9.333 | nM | 8.03 | Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed i... | 25261823 |
| Alpha-1D adrenergic receptor | Ki | = | 14.79 | nM | 7.83 | Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor express... | 25261823 |
| Alpha-1B adrenergic receptor | Ki | = | 141.25 | nM | 6.85 | Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor express... | 25261823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25261823 | 10.1016/j.ejmech.2014.09.070 | Unchecked | 7 |
| 25261823 | 10.1016/j.ejmech.2014.09.070 | 5-hydroxytryptamine receptor 1A | 3 |
| 25261823 | 10.1016/j.ejmech.2014.09.070 | Alpha-1D adrenergic receptor | 2 |
| 25261823 | 10.1016/j.ejmech.2014.09.070 | Alpha-1B adrenergic receptor | 2 |
| 25261823 | 10.1016/j.ejmech.2014.09.070 | Alpha-1A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine