General Information of the Compound
Compound ID
CP0022915
Compound Name
2-Phenyl-benzo[d]isoselenazol-3-one
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Synonyms
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
Ebselen [INN]
Ebselene
Ebselene [French]
Ebseleno
Ebseleno [Spanish]
Ebselenum
Ebselenum [Latin]
Harmokisane
PMID25468267-Compound-30
PZ 51
PZ-51
PZ51
RP 60931
SPI-1005
SPI-3005
Selenium compound 3
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Structure
Formula
C13H9NOSe
Molecular Weight
274.181
Canonical SMILES
O=c1n([se]c2ccccc12)-c1ccccc1
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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
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InChIKey
DYEFUKCXAQOFHX-UHFFFAOYSA-N
CAS
60940-34-3
Physicochemical Property
logP
2.0477
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3194
SID: 14848495
ChEMBL ID
CHEMBL51085
DrugBank ID
DB12610
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 32642.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 23109.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 26121.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Selenium compound 3 )
Drug Name Selenium compound 3
Company ISIS INNOVATION LIMITED SCHOFIELD, Christopher Joseph ROSE, Nathan SEKIRNIK, Rok
Target(s)
Lysine-specific demethylase 4A (KDM4A)
 Target Info 
Inhibitor
Drug 2 ( SPI-1005 )
Drug Name SPI-1005
Indication
Reperfusion injury
Approved
Target(s)
Serum albumin (ALB)
 Target Info 
Binder
Drug 3 ( SPI-1005 )
Drug Name SPI-1005
Indication
Meniere disease
Phase 2b
Coronavirus Disease 2019 (COVID-19)
Investigative