BUSPIRONE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 207LT9J9OC
EPA CompTox DTXSID1037193
Parent Compound: BUSPIRONE

Structure

InChI Key RICLFGYGYQXUFH-UHFFFAOYSA-N
Smiles Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChI
InChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H32ClN5O2
Molecular Weight 421.97
AlogP 2.09
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 69.64
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Serotonin 1a (5-HT1a) receptor partial agonist PARTIAL AGONIST FDA Wikipedia
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 Serotonin receptor
- 95-740 - 12.59 -

Target Conservation

Protein: Serotonin 1a (5-HT1a) receptor
Description: 5-hydroxytryptamine receptor 1A
Organism : Homo sapiens
P08908 ENSG00000178394

Cross References

Resources Reference
ChEBI 3224
ChEMBL CHEMBL1200399
FDA SRS 207LT9J9OC
Guide to Pharmacology 36
KEGG C06861
PubChem 36431
SureChEMBL SCHEMBL41495
ZINC ZINC01530571
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