Details of the Drug

General Information of Drug (ID: DM6XFHS)

Drug Name
SPI-1005
Synonyms
Ebselen [INN]; Ebselene; Ebselene [French]; Ebseleno; Ebseleno [Spanish]; Ebselenum; Ebselenum [Latin]; Harmokisane; PZ 51; PZ-51; PZ51; RP 60931; SPI-1005; SPI-3005; 2-Phenyl-1,2-benzisoselenazol-3(2H)-one; 2-Phenyl-1,2-benzisoselenazolin-3-one; 2-phenyl-1,2-benzoisoselenazol-3(2H)-one; 2-phenyl-1,2-benzoselenazol-3-one; DR 3305; DR-3305; E 3520
Indication
Disease Entry ICD 11 Status REF
Reperfusion injury ND56.Z Approved [1]
Meniere disease AB31.0 Phase 2b [2]
Coronavirus Disease 2019 (COVID-19) 1D6Y Investigative [3]
Therapeutic Class
Fibrinolytic Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 274.19
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Chemical Identifiers
Formula
C13H9NOSe
IUPAC Name
2-phenyl-1,2-benzoselenazol-3-one
Canonical SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKey
DYEFUKCXAQOFHX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3194
ChEBI ID
CHEBI:77543
CAS Number
60940-34-3
UNII
40X2P7DPGH
DrugBank ID
DB12610
TTD ID
D0B1FE
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serum albumin (ALB) TTFNGC9 ALBU_HUMAN Binder [4]
COVID-19 papain-like proteinase (PL-PRO) TTNHMO8 R1AB_SARS2 (819-2763) Inhibitor [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) OTU0FC24 COX41_HUMAN Gene/Protein Processing [5]
Heat shock factor protein 1 (HSF1) OTYNJ4KP HSF1_HUMAN Gene/Protein Processing [6]
Phosphoethanolamine/phosphocholine phosphatase (PHOSPHO1) OT43A0JA PHOP1_HUMAN Gene/Protein Processing [7]
Polyunsaturated fatty acid 5-lipoxygenase (ALOX5) OT7FOIK2 LOX5_HUMAN Gene/Protein Processing [8]
Superoxide dismutase (SOD1) OT39TA1L SODC_HUMAN Protein Interaction/Cellular Processes [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Reperfusion injury
ICD Disease Classification ND56.Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Serum albumin (ALB) DTT ALB 7.92E-01 -0.07 -0.44
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Advances in ischemic stroke treatment: neuroprotective and combination therapies. Expert Opin Emerg Drugs. 2007 Mar;12(1):97-112.
2 Sound Pharmaceuticals announces positive topline results from the SPI-1005 Phase 2b Meniere's Disease clinical trial. Jun 25, 2019
3 Structure of Mpro from COVID-19 virus and discovery of its inhibitors. Nature. 2020 Apr 9.
4 Transport of ebselen in plasma and its transfer to binding sites in the hepatocyte. Biochem Pharmacol. 1994 Sep 15;48(6):1137-44.
5 Altered redox mitochondrial biology in the neurodegenerative disorder fragile X-tremor/ataxia syndrome: use of antioxidants in precision medicine. Mol Med. 2016 Oct;22:548-559. doi: 10.2119/molmed.2016.00122. Epub 2016 Jun 30.
6 A Gene Expression Biomarker Predicts Heat Shock Factor 1 Activation in a Gene Expression Compendium. Chem Res Toxicol. 2021 Jul 19;34(7):1721-1737. doi: 10.1021/acs.chemrestox.0c00510. Epub 2021 Jun 25.
7 Functional involvement of PHOSPHO1 in matrix vesicle-mediated skeletal mineralization. J Bone Miner Res. 2007 Apr;22(4):617-27. doi: 10.1359/jbmr.070108.
8 Molecular actions of ebselen--an antiinflammatory antioxidant. Gen Pharmacol. 1995 Oct;26(6):1153-69.
9 Impairment of mitochondrial anti-oxidant defence in SOD1-related motor neuron injury and amelioration by ebselen. Brain. 2006 Jul;129(Pt 7):1693-709. doi: 10.1093/brain/awl118. Epub 2006 May 15.