General Information of the Compound
Compound ID
CP0069522
Compound Name
Alinia
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Synonyms
AZT + Nitazoxanide
Alinia
Alinia (TN)
Annita (TN)
Azt+ nitazoxanide
Colufase
Cryptaz
Daxon
Daxon (TN)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazoxanide
Dexidex (TN)
Heliton
Kidonax (TN)
Nitax (TN)
Nitazox (TN)
Nitazoxanid
Nitazoxanida
Nitazoxanida [INN-Spanish]
Nitazoxanide
Nitazoxanide (USAN/INN)
Nitazoxanide [USAN:INN]
Nitazoxanidum
Nitazoxanidum [INN-Latin]
Pacovanton (TN)
Paramix (TN)
Phavic-1
Taenitaz
Tizoxanide glucuronide
Zox (TN)
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Structure
Formula
C12H9N3O5S
Molecular Weight
307.287
Canonical SMILES
CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O
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InChI
InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)
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InChIKey
YQNQNVDNTFHQSW-UHFFFAOYSA-N
CAS
55981-09-4
Physicochemical Property
logP
2.2289
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
111.43
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
21

"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: 41684
SID: 99431538
ChEMBL ID
CHEMBL1401
DrugBank ID
DB00507
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: PT06716, Anoctamin-1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000259 FRT
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 = 424 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01503, Signal transducer and activator of transcription 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000495 HEK-Blue IL-6
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 9800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 9980 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 35000 nM
   TI
   LI
   LO
   TS
CL000018 HL-60
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 20100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Nitazoxanide )
Drug Name Nitazoxanide
Company Unimed Pharmaceuticals
Indication
Diarrhea
Approved
Drug 2 ( Nitazoxanide )
Drug Name Nitazoxanide
Company Unimed Pharmaceuticals
Indication
Diarrhea
Approved
Coronavirus Disease 2019 (COVID-19)
Phase 3