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Compound Detail

CHEMBL1545

TIZOXANIDE
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O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1545
Name TIZOXANIDE
Phase Preclinical
Structure Type MOL
InChI Key FDTZUTSGGSRHQF-UHFFFAOYSA-N

Known Names

Desacetyl-nitazoxanide Nitazoxanide related compound b NSC-697856 Tizoxanide
10
Targets
19
Activities
2
Assay Types
2
PK Parameters
20
Publications
4
Known Names

Molecular Properties

265.2
MW (Da)
2.01
ALogP
6
HBA
2
HBD
105.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Achiral
USAN Stem -oxanide

Extended Properties

Molecular Formula C10H7N3O4S
MW 265.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.96

Activity Summary

IC50 11 meas. best 6.82
EC50 8 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 6.82 6.4533 150.0 6
Hepatitis B virus
CHEMBL613497
 EC50 6.82 6.58 150.0 2
Hepatitis B virus
CHEMBL613497
 IC50 6.82 6.82 150.0 1
Trichomonas vaginalis
CHEMBL612884
 IC50 6.68 6.68 211.0 2
Giardia intestinalis
CHEMBL612652
 IC50 6.14 6.14 716.0 2
Entamoeba histolytica
CHEMBL612853
 IC50 5.91 5.91 1229.0 1
Plasmodium berghei
CHEMBL612653
 IC50 5.28 5.28 5240.0 1
Leishmania mexicana
CHEMBL612880
 IC50 5.21 5.21 6190.0 1
Signal transducer and activator of transcription 3
CHEMBL4026
 IC50 5.05 5.05 8900.0 1
Trypanosoma cruzi
CHEMBL368
 IC50 4.76 4.76 17470.0 1
HeLa
CHEMBL399
 IC50 4.53 4.53 29800.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 39962.3 nM Homo sapiens
T1/2 0.7 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 150.0 nM 6.82 Antiviral activity against HCV genotype 1b in replicon system 18710916
Hepatitis B virus EC50 = 150.0 nM 6.82 Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... 21553812
Hepatitis C virus EC50 = 150.0 nM 6.82 Antiviral activity against HCV genotype 1b infected in Ava5 cells assessed as in... 22059983
Hepatitis C virus EC50 = 150.0 nM 6.82 Antiviral activity against HCV genotype 1b in RP7 replicon cell after 4 days by ... 18710916
Hepatitis B virus IC50 = 150.0 nM 6.82 Antiviral activity against HBV infected in human HepG2(2.2.15) cells assessed as... 28383274
Trichomonas vaginalis IC50 = 211.0 nM 6.68 Antiprotozoan activity against Trichomonas vaginalis GT3 trophozoites after 48 h... 21397502
Trichomonas vaginalis IC50 = 211.0 nM 6.68 Trichomonicidal activity against Trichomonas vaginalis GT3 compound treated for ... 25801157
Hepatitis C virus EC50 = 250.0 nM 6.6 Antiviral activity against HCV genotype 1a infected in Huh7.5 cells assessed as ... 22059983
Hepatitis B virus EC50 = 460.0 nM 6.34 Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... 21553812
Giardia intestinalis IC50 = 716.0 nM 6.14 Antiprotozoan activity against Giardia intestinalis IMSS:0696:1 trophozoites aft... 21397502
Giardia intestinalis IC50 = 716.0 nM 6.14 Giardicidal activity against Giardia intestinalis IMSS:0696:1 compound treated f... 25801157
Hepatitis C virus EC50 = 1100.0 nM 5.96 Antiviral activity against HCV genotype 1b in NTZ-11 replicon cell after 4 days ... 18710916
Entamoeba histolytica IC50 = 1229.0 nM 5.91 Antiprotozoan activity against Entamoeba histolytica HM1-IMSS trophozoites after... 21397502
Hepatitis C virus EC50 = 2000.0 nM 5.7 Antiviral activity against HCV genotype 1b in TIZ-9 replicon cell after 4 days b... 18710916
Plasmodium berghei IC50 = 5240.0 nM 5.28 Antimalarial activity against Plasmodium berghei schizonts isolated from parasit... 21397502
Leishmania mexicana IC50 = 6190.0 nM 5.21 Antileishmanial activity against Leishmania mexicana MHOM/MX/ISETGS promastigote... 21397502
Signal transducer and activator of transcription 3 IC50 = 8900.0 nM 5.05 Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK-Blue IL-6... 34055214
Trypanosoma cruzi IC50 = 17470.0 nM 4.76 Antitrypanosomal activity against Trypanosoma cruzi MHOM/MX/1994/Ninoa epimastig... 21397502
HeLa IC50 = 29800.0 nM 4.53 Cytotoxicity against human HeLa cells assessed as inhibition of cell viability m... 34055214

Literature References

PubMed DOI Target Context # Activities
18710916 10.1128/aac.00078-08 Hepatitis C virus 13
20404119 10.1128/aac.00901-09 Staphylococcus epidermidis 10
21397502 10.1016/j.bmcl.2011.02.100 Unchecked 6
21553812 10.1021/jm200153p Hepatitis B virus 4
27750149 10.1016/j.ejmech.2016.09.080 Rattus norvegicus 4
22059983 10.1021/jm201264t Hepatitis C virus 4
34055214 10.1021/acsmedchemlett.0c00544 Signal transducer and activator of transcription 3 3
18710916 10.1128/aac.00078-08 ADMET 3
18710916 10.1128/aac.00078-08 Unchecked 3
27750149 10.1016/j.ejmech.2016.09.080 Plasma 3
34055214 10.1021/acsmedchemlett.0c00544 HeLa 2
21553812 10.1021/jm200153p Unchecked 2
21783364 10.1016/j.bmcl.2011.06.076 Mycobacterium tuberculosis 2
22059983 10.1021/jm201264t Unchecked 2
34055214 10.1021/acsmedchemlett.0c00544 HEK-293T 2
17517836 10.1128/aac.01623-06 Clostridioides difficile 2
22059983 10.1021/jm201264t ADMET 2
38107181 10.1039/d3md00449j Mycobacterium tuberculosis 1
21397502 10.1016/j.bmcl.2011.02.100 Entamoeba histolytica 1
21397502 10.1016/j.bmcl.2011.02.100 Trichomonas vaginalis 1

Data from ChEMBL 36 via Core Engine