| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1986) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 207LT9J9OC |
| Parent Compound: | BUSPIRONE |
Structure
| InChI Key | RICLFGYGYQXUFH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H32ClN5O2 |
| Molecular Weight | 421.97 |
| AlogP | 2.09 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 69.64 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | - | - | 5012 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | 740 | - | 13 | - |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Psychotic Disorders | 3 | D011618 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Spinal Cord Injuries | 2 | D013119 | ClinicalTrials |
| Sexual Dysfunction, Physiological | 2 | D012735 | ClinicalTrials |
| Postoperative Nausea and Vomiting | 2 | D020250 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 3224 |
| ChEMBL | CHEMBL1200399 |
| EPA CompTox | DTXSID1037193 |
| FDA SRS | 207LT9J9OC |
| Guide to Pharmacology | 36 |
| KEGG | C06861 |
| PubChem | 36431 |
| SureChEMBL | SCHEMBL41495 |
| ZINC | ZINC01530571 |
CONTENTS