Compound Detail
CHEMBL1204189
TIOSPIRONE HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1204189 |
| Name | TIOSPIRONE HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYAWYTKDKQCORF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL35057 |
| Active Moiety | CHEMBL35057 |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
11
Publications
5
Known Names
Molecular Properties
440.6
MW (Da)
3.91
ALogP
6
HBA
0
HBD
56.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 5 meas. best 9.4
Kd 2 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | Kd | 9.48 | 9.48 | 0.3 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Kd | 9.02 | 9.02 | 1.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.85 | 6.85 | 142.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | Kd | = | 0.3337 | nM | 9.48 | Compound was tested for its effect on dopamine saturation analysis | 2869146 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 0.4 | nM | 9.4 | Binding affinity towards 5-hydroxytryptamine 2 receptor measured using radioliga... | 2869146 |
| Serotonin 2 (5-HT2) receptor | Kd | = | 0.963 | nM | 9.02 | Compound was tested for its effect on 5-hydroxytryptamine 2 receptor saturation ... | 2869146 |
| D(2) dopamine receptor | IC50 | = | 8.0 | nM | 8.1 | In vitro affinity for rat striatal Dopamine receptor D2 labeled with [3H]spipero... | 2869146 |
| Serotonin 1 (5-HT1) receptor | IC50 | = | 13.0 | nM | 7.89 | Binding affinity towards 5-hydroxytryptamine 1 receptor was measured using radio... | 2869146 |
| Adrenergic receptor alpha-1 | IC50 | = | 47.0 | nM | 7.33 | In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-... | 2869146 |
| Unchecked | IC50 | = | 142.0 | nM | 6.85 | Binding affinity against histamine receptor was measured using radioligand ([3H]... | 2869146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2869146 | 10.1021/jm00153a010 | Unchecked | 7 |
| 2869146 | 10.1021/jm00153a010 | Rattus norvegicus | 6 |
| 2869146 | 10.1021/jm00153a010 | Mus musculus | 5 |
| 2869146 | 10.1021/jm00153a010 | Serotonin 2 (5-HT2) receptor | 3 |
| 2869146 | 10.1021/jm00153a010 | Dopamine receptor | 2 |
| 2869146 | 10.1021/jm00153a010 | D(2) dopamine receptor | 1 |
| 2869146 | 10.1021/jm00153a010 | Adrenergic receptor alpha-1 | 1 |
| 2869146 | 10.1021/jm00153a010 | Serotonin 1 (5-HT1) receptor | 1 |
| 2869146 | 10.1021/jm00153a010 | GABA-A receptor; anion channel | 1 |
| 2869146 | 10.1021/jm00153a010 | Metabotropic glutamate receptor 3 | 1 |
| 2869146 | 10.1021/jm00153a010 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine