UCSF

ZINC03956788

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 21 No

CAS Numbers: 55981-09-4 , [55981-09-4]

Other Names:

(2-((5-Nitro-2-thiazolyl)carbamoyl)phenyl)acetat

(2-((5-Nitro-2-thiazolyl)carbamoyl)phenyl)acetat; 2-(Acetolyloxy)-N-(5-nitro-2-thiazolyl)benzamide; Alinia; BRN 1225475; Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-; C12H9N3O5S; EINECS 259-931-8; LS-144176; N-(5-Nitro-2-thiazolyl)salicylamide acetat

oxanide

2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate

2-(Acetolyloxy)-N-(5-nitro-2-thiazolyl)benzamide

2-(Acetolyloxy)-N-(5-nitro-2-thiazolyl)benzamide;2-Acetyloxy-N-[(5-nitro-2-thiazolyl)]benzamide;Nitazoxanid;Nitazoxanida [INN-Spanish];Nitazoxanidum [INN-Latin];Tizoxanide Glucuronide

2-(Acetyloxy)-N-(5-nitro-2-thiazolyl)benzamide

2-Acetyloxy-N-[(5-nitro-2-thiazolyl)]benzamide

2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate

55981-09-4

55981-09-4; Alinia (TN); D02486; Nitazoxanide (USAN/INN)

AC-1302

AC1L26A1

AC1Q5NVY

Alinia

Alinia (TN)

AZT + Nitazoxanide

azt+ nitazoxanide

BAN

Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-

BRN 1225475

C12H9N3O5S

CHEMBL1401

CID41684

Colufase

CPD000466367

CPD000466367; NITAZOXANIDE

CPD000466367; NITAZOXANIDE; SAM001246708

Cryptaz

D02486

DAP001293

Daxon

Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazoxanide

DB00507

EINECS 259-931-8

Fental

FT-0082459

Heliton

HMS2051L04

I14-6011

INN

LS-144176

MFCD00416599

MLS000759492

MLS001424074

MolPort-002-042-244

N-(5-Nitro-2-thiazolyl)salicylamide acetate (ester)

N-(5-Nitrothiazol-2-yl)salicylamide acetate ester

NA

NCGC00090774-01

NCI60_034935

NCIMech_000843

Nitazoxamide

Nitazoxanid

Nitazoxanida

Nitazoxanida [INN-Spanish]

Nitazoxanide (Alinia, Annita)

Nitazoxanide (FDA

Nitazoxanide (USAN/INN)

Nitazoxanide [USAN:INN]

Nitazoxanide, 99%+

Nitazoxanidum

Nitazoxanidum [INN-Latin]

NSC 697855

NSC697855

NTZ

o-(N-(5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate

Oprea1_263587

Phavic-1

S1627_Selleck

Salicylamide, N-(5-nitro-2-thiazolyl)- acetate (ester)

Salicylamide, N-(5-nitro-2-thiazolyl)-, acetate (ester)

SAM001246708

SBB068315

SMR000466367

STK395664

Taenitaz

Tizoxanide Glucuronide

UNII-SOA12P041N

USAN)

ZINC03956788

[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 7.98 -18.51 1 8 0 114 307.287 5
Hi High (pH 8-9.5) 1.54 6.55 -43.57 0 8 -1 120 306.279 5

Vendor Notes

Note Type Comments Provided By
Melting Pt.: 198-200?C Toronto Research Chemicals
ALOGPS_SOLUBILITY 7.55e-03 g/l DrugBank-approved
Purity 95+% Matrix Scientific
Therapy antiparasitic SMDC Pharmakon
Indications antiprotozoal KeyOrganics Bioactives
Solubility: DMSO, Methanol Toronto Research Chemicals
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP03412n NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP03412n NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-1-O Entamoeba Histolytica (cluster #1 Of 5), Other Other 504 0.42 Functional ≤ 10μM
Z50424-1-O Cryptosporidium Parvum (cluster #1 Of 2), Other Other 3800 0.36 Functional ≤ 10μM
Z50461-2-O Leishmania Mexicana (cluster #2 Of 3), Other Other 6180 0.35 Functional ≤ 10μM
Z50467-1-O Trichomonas Vaginalis (cluster #1 Of 3), Other Other 68 0.48 Functional ≤ 10μM
Z50468-1-O Giardia Intestinalis (cluster #1 Of 4), Other Other 1214 0.39 Functional ≤ 10μM
Z50473-1-O Plasmodium Berghei (cluster #1 Of 5), Other Other 3890 0.36 Functional ≤ 10μM
Z50606-1-O Hepatitis B Virus (cluster #1 Of 3), Other Other 590 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50424 Z50424 Cryptosporidium Parvum 3250 0.37 Functional ≤ 10μM
Z50422 Z50422 Entamoeba Histolytica 504 0.42 Functional ≤ 10μM
Z50468 Z50468 Giardia Intestinalis 1214 0.39 Functional ≤ 10μM
Z50606 Z50606 Hepatitis B Virus 120 0.46 Functional ≤ 10μM
Z50461 Z50461 Leishmania Mexicana 6180 0.35 Functional ≤ 10μM
Z50473 Z50473 Plasmodium Berghei 3890 0.36 Functional ≤ 10μM
Z50467 Z50467 Trichomonas Vaginalis 68 0.48 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )