Compound Detail
CHEMBL10105
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Basic Information
| ChEMBL ID | CHEMBL10105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKOZXYDJNCUNBD-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
4.31
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.8 | 8.8 | 1.6 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.5 | 7.5 | 32.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.34 | 7.34 | 46.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.6 | nM | 8.8 | Affinity against the 5-hydroxytryptamine receptor 1A using [3H]WB-4101. | 7473548 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.6 | nM | 8.8 | Binding affinity towards 5-hydroxytryptamine 1A receptor of rat brain synaptosom... | 7909336 |
| Adrenergic receptor alpha-1 | Ki | = | 32.0 | nM | 7.5 | Binding affinity towards alpha-1 adrenergic receptor using [3H]prazosin as radio... | 7473548 |
| Adrenergic receptor alpha-1 | Ki | = | 32.0 | nM | 7.5 | Binding affinity towards alpha-1 adrenergic receptors in rat brain synaptosomal ... | 7909336 |
| D(2) dopamine receptor | Ki | = | 46.0 | nM | 7.34 | Affinity against the dopamine receptor D2 using [3H]spiperinone. | 7473548 |
| D(2) dopamine receptor | Ki | = | 46.0 | nM | 7.34 | Binding affinity towards dopamine D2 receptors in rat brain synaptosomal prepara... | 7909336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473548 | 10.1021/jm00021a010 | Rattus norvegicus | 2 |
| 7473548 | 10.1021/jm00021a010 | D(2) dopamine receptor | 1 |
| 7473548 | 10.1021/jm00021a010 | 5-hydroxytryptamine receptor 1A | 1 |
| 7473548 | 10.1021/jm00021a010 | Adrenergic receptor alpha-1 | 1 |
| 7909336 | 10.1021/jm00034a003 | D(2) dopamine receptor | 1 |
| 7909336 | 10.1021/jm00034a003 | 5-hydroxytryptamine receptor 1A | 1 |
| 7909336 | 10.1021/jm00034a003 | Adrenergic receptor alpha-1 | 1 |
| 7909336 | 10.1021/jm00034a003 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine