Compound Detail
CHEMBL416266
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Basic Information
| ChEMBL ID | CHEMBL416266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APHPLOYRLDEZMD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
1.78
ALogP
6
HBA
1
HBD
93.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL3427 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.57 | 7.57 | 27.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 22.0 | nM | 7.66 | Binding affinity towards Dopamine receptor D2 | 10397500 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 27.0 | nM | 7.57 | In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebra... | 11170629 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 27.0 | nM | 7.57 | Binding affinity towards 5-HT1A receptor | 10397500 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 27.0 | nM | 7.57 | In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor ... | 15801844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170629 | 10.1021/jm000930t | 5-hydroxytryptamine receptor 1A | 1 |
| 11170629 | 10.1021/jm000930t | Adrenergic receptor alpha-1 | 1 |
| 10397500 | 10.1016/s0960-894x(99)00254-1 | 5-hydroxytryptamine receptor 1A | 1 |
| 10397500 | 10.1016/s0960-894x(99)00254-1 | Alpha-1 adrenergic receptor | 1 |
| 10397500 | 10.1016/s0960-894x(99)00254-1 | D(2) dopamine receptor | 1 |
| 15801844 | 10.1021/jm048999e | 5-hydroxytryptamine receptor 1A | 1 |
| 15801844 | 10.1021/jm048999e | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine