| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | No |
Popular Name: Secnidazole Secnidazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3366-95-8 , [3366-95-8]
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol
1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol; CPD000149359; SAM001246716; Secnidazole
3366-95-8; D07353; Secnidal (TN); Secnidazole (INN)
CPD000149359; 1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol
| 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) | -0.10 | 3.6 | -6.91 | 1 | 6 | 0 | 84 | 185.183 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| Purity | 97% | Fluorochem |
| biological_use | Amoebicide | IBScreen Bioactives |
| Therapy | antiameobic, antitrichomonas | SMDC Iconix |
| Target | Antifection | Selleck Chemicals |
| Indications | antiinfective | KeyOrganics Bioactives |
| biological_use | Antimicrobial agent | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Interacts with DNA to cause a loss of helical DNA structure and strand breakage resulting in inhibition of protein synthesis and cell death in susceptible organisms | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP010965s | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| biological_use | Protozoacide | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP010965s | NIH Clinical Collection via PubChem |
| biological_use | Trichomonacide | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50467-3-O | Trichomonas Vaginalis (cluster #3 Of 3), Other | Other | 810 | 0.66 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50467 | Z50467 | Trichomonas Vaginalis | 810 | 0.66 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
