Compound Detail
CHEMBL3970754
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Basic Information
| ChEMBL ID | CHEMBL3970754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STPLWRDJTCMAMP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.5
MW (Da)
3.45
ALogP
4
HBA
1
HBD
30.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.64 | 7.64 | 22.9 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.67 | 6.67 | 213.8 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.36 | 6.36 | 436.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 22.91 | nM | 7.64 | Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed i... | 27689727 |
| Alpha-1D adrenergic receptor | Ki | = | 213.8 | nM | 6.67 | Displacement of [3H]prazosin from recombinant human alpha1d adrenergic receptor ... | 27689727 |
| Alpha-1B adrenergic receptor | Ki | = | 436.52 | nM | 6.36 | Displacement of [3H]prazosin from recombinant human alpha1b adrenergic receptor ... | 27689727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27689727 | 10.1016/j.ejmech.2016.09.050 | Alpha-1A adrenergic receptor | 1 |
| 27689727 | 10.1016/j.ejmech.2016.09.050 | Alpha-1B adrenergic receptor | 1 |
| 27689727 | 10.1016/j.ejmech.2016.09.050 | Alpha-1D adrenergic receptor | 1 |
| 27689727 | 10.1016/j.ejmech.2016.09.050 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine