Compound Detail
CHEMBL274047
TANDOSPIRONE 🧪 Phase II
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🧪 Phase II
O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1
Basic Information
| ChEMBL ID | CHEMBL274047 |
| Name | TANDOSPIRONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CEIJFEGBUDEYSX-FZDBZEDMSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
2
Known Names
Molecular Properties
383.5
MW (Da)
1.41
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
Ki 5 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.24 | 7.87 | 5.8 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.14 | 8.14 | 7.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.8 | nM | 8.24 | Agonist activity at 5HT1A receptor (unknown origin) | 29324345 |
| D(4) dopamine receptor | Ki | = | 7.2 | nM | 8.14 | Binding affinity to Dopamine receptor D4 was determined | 11354362 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 9.0 | nM | 8.05 | In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor ... | 2898533 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 32.0 | nM | 7.5 | Binding affinity to 5-hydroxytryptamine 1A receptor was determined | 11354362 |
| D(2) dopamine receptor | Ki | = | 460.0 | nM | 6.34 | Binding affinity to Dopamine receptor D2 was determined | 11354362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 11354362 | 10.1016/s0960-894x(01)00167-6 | D(2) dopamine receptor | 1 |
| 11354362 | 10.1016/s0960-894x(01)00167-6 | D(4) dopamine receptor | 1 |
| 11354362 | 10.1016/s0960-894x(01)00167-6 | 5-hydroxytryptamine receptor 1A | 1 |
| 2898533 | 10.1021/jm00402a023 | 5-hydroxytryptamine receptor 1A | 1 |
| 2898533 | 10.1021/jm00402a023 | Rattus norvegicus | 1 |
| 20931963 | 10.1021/jm1002292 | Rattus norvegicus | 1 |
| 29324345 | 10.1016/j.ejmech.2017.12.099 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine