| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: Thiabendazole Thiabendazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 148-79-8 , [148-79-8]
148-79-8; CPD000058170; SAM002564239; THIABENDAZOLE
148-79-8; Prestwick_813; Tiabendazole
1H-Benzimidazole, 2-(4-thiazolyl)-
2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole
2-(1,3-thiazol-4-yl)-1H-benzimidazole
2-(1,3-Thiazol-4-yl)benzimidazole
2-(4-Thiazolyl)-1H-benzimidazole
2-Thiazol-4-yl-1H-benzoimidazole
4-(1H-benzimidazol-2-yl)-1,3-thiazole
4-(1H-benzo[d]imidazol-2-yl)thiazole
4-benzimidazol-2-yl-1,3-thiazole
Benzimidazole, 2-(4-thiazolyl)-
EPA Pesticide Chemical Code 060101
Mintezol, Equizole, Thiabendazole
| 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) | 2.35 | 4.04 | -9.14 | 1 | 3 | 0 | 42 | 201.254 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.38e-01 g/l | DrugBank-approved |
| Melting Pt.: | 301-303?C | Toronto Research Chemicals |
| Purity | 98% | APIChem |
| Melting Pt.: | >300?C (dec.) | Toronto Research Chemicals |
| Therapy | anthelmintic | SMDC Iconix |
| UniProt Database Links | CAH2_HUMAN; CATA_DICDI; EIF3E_SCHPO; ERS1_SCHPO; RTX2_SCHPO; SEC22_SCHPO; SEC65_SCHPO; TBS1_YEAST; VPS35_SCHPO; Y1708_MYCTU; Y2345_MYCTU; Y3660_MYCTU; Y3835_MYCTU | ChEBI |
| Solubility: | Chloroform, Dichloromethane, Dimethylformamide, Dimethyl Sulfoxide, Ethanol, Ethyl Acetate, | Toronto Research Chemicals |
| Solubility: | DMSO, Methanol | Toronto Research Chemicals |
| Patent Database Links | EP1700845; US2003105066; US2004254182; US2005065197; US2006222684; US2007207222; US2007219221; US2007224250; US2007231295; US2008249113; US2008255073; WO2007103687; WO2007113830 | ChEBI |
| biological_use | It is a medication that is used in the treatment of a number of parasitic worm infections | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-7321; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| mechanism | The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM-1-B | Methionine Aminopeptidase (cluster #1 Of 3), Bacterial | Bacteria | 472 | 0.63 | Binding ≤ 10μM |
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 4160 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM_ECOLI | P0AE18 | Methionine Aminopeptidase, Ecoli | 472 | 0.63 | Binding ≤ 1μM |
| AMPM_ECOLI | P0AE18 | Methionine Aminopeptidase, Ecoli | 472 | 0.63 | Binding ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 1100 | 0.60 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.