Compound Detail
CHEMBL1200399
BUSPIRONE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
9
Known Names
9
Indications
1
Mechanisms
Molecular Properties
385.5
MW (Da)
2.09
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1986 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin 1a (5-HT1a) receptor partial agonist | PARTIAL AGONIST | 5-hydroxytryptamine receptor 1A | ✓ | ✓ |
Indications
Anxiety Anxiety Disorders Anxiety Disorders Depressive Disorder Psychotic Disorders Schizophrenia Postoperative Nausea and Vomiting Sexual Dysfunction, Physiological Spinal Cord Injuries
Activity Summary
IC50 4 meas. best 7.02
Ki 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.2 | 5.05 | 6309.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.59 | nM | 7.9 | Binding affinity against 5-hydroxytryptamine 1A receptor in rat cerebral cortica... | 2153822 |
| Serotonin 1 (5-HT1) receptor | IC50 | = | 95.0 | nM | 7.02 | Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured... | 2874226 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 740.0 | nM | 6.13 | Evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor using radi... | 2874226 |
| Adrenergic receptor alpha-2 | Ki | = | 5011.87 | nM | 5.3 | Binding affinity against alpha-2 adrenergic receptor in rat cerebral cortical me... | 2153822 |
| Plasmodium falciparum | IC50 | = | 6309.57 | nM | 5.2 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... | 19734910 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2874226 | 10.1021/jm00158a026 | Rattus norvegicus | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 2 |
| 25826710 | 10.1021/jm501512b | Papio anubis | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4513141 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 2153822 | 10.1021/jm00164a026 | Adrenergic receptor alpha-2 | 1 |
| 28512024 | 10.1016/j.bmcl.2017.05.010 | Cytosolic endo-beta-N-acetylglucosaminidase | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 2874226 | 10.1021/jm00158a026 | Serotonin 2 (5-HT2) receptor | 1 |
| 2874226 | 10.1021/jm00158a026 | Serotonin 1 (5-HT1) receptor | 1 |
| 2874226 | 10.1021/jm00158a026 | Serotonin (5-HT) receptor | 1 |
Data from ChEMBL 36 via Core Engine