Compound Detail
CHEMBL493661
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Basic Information
| ChEMBL ID | CHEMBL493661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWNHCVXSZHPSOC-YLJYHZDGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.83
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.63 | 6.63 | 234.4 | 2 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.29 | 6.29 | 512.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 234.42 | nM | 6.63 | Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in huma... | 18817363 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 234.42 | nM | 6.63 | Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in... | 27662034 |
| Alpha-1A adrenergic receptor | Ki | = | 512.86 | nM | 6.29 | Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in... | 18817363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18817363 | 10.1021/jm800461k | PC-3 | 3 |
| 18817363 | 10.1021/jm800461k | Alpha-1A adrenergic receptor | 2 |
| 18817363 | 10.1021/jm800461k | Alpha-1B adrenergic receptor | 2 |
| 18817363 | 10.1021/jm800461k | Alpha-1D adrenergic receptor | 2 |
| 18817363 | 10.1021/jm800461k | 5-hydroxytryptamine receptor 1A | 1 |
| 27662034 | 10.1016/j.ejmech.2016.09.026 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine