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]
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
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) 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.