| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 21 | No |
Popular Name: Nitazoxanide Nitazoxanide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 55981-09-4 , [55981-09-4]
(2-((5-Nitro-2-thiazolyl)carbamoyl)phenyl)acetat
2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate
2-(Acetolyloxy)-N-(5-nitro-2-thiazolyl)benzamide
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; Alinia (TN); D02486; Nitazoxanide (USAN/INN)
Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-
CPD000466367; NITAZOXANIDE; SAM001246708
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazoxanide
N-(5-Nitro-2-thiazolyl)salicylamide acetate (ester)
N-(5-Nitrothiazol-2-yl)salicylamide acetate ester
o-(N-(5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate
Salicylamide, N-(5-nitro-2-thiazolyl)- acetate (ester)
| 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 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.55e-03 g/l | DrugBank-approved |
| Purity | 95+% | Matrix Scientific |
| Therapy | antiparasitic | SMDC Pharmakon |
| Indications | antiprotozoal | KeyOrganics Bioactives |
| 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 |
| 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 |
| 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 |
