Details of the Drug

General Information of Drug (ID: DM3HRQI)

Drug Name

BINOSPIRONE MESYLATE

Synonyms

Binospirone mesylate < Rec INNM; MDL-73005EF; Rac-N-[2-[(1,4-Benzodioxan-2-ylmethyl)amino]ethyl]-1,1-cyclopentanediazetimide methanesulfonate; Rac-N-[4-(1,4-Benzodioxan-2-ylmethylamino)ethyl]-3,3-tetramethyleneglutarimide methanesulfonate; Rac-8-[2-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione methanesulfonate

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

454.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C21H30N2O7S
IUPAC Name: 8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione;methanesulfonic acid
Canonical SMILES: CS(=O)(=O)O.C1CCC2(C1)CC(=O)N(C(=O)C2)CCNCC3COC4=CC=CC=C4O3
InChI: InChI=1S/C20H26N2O4.CH4O3S/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15;1-5(2,3)4/h1-2,5-6,15,21H,3-4,7-14H2;1H3,(H,2,3,4)
InChIKey: JXBLEDCYKVWLJI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 71346
CAS Number: 124756-23-6
TTD ID: D05AAM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Anxiety disorder

ICD Disease Classification

6B00-6B0Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000677)
2	Quantifying the 5-HT1A agonist action of buspirone in man. Psychopharmacology (Berl). 2001 Nov;158(3):224-9.