| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 17 | Yes |
Popular Name: Doxifluridine Doxifluridine
Find On: PubMed — Wikipedia — Google
CAS Number: 3094-09-5
(+)-5-Fluoro-5'-deoxyuridine 98%
(+)-Doxifluridine, (+)-1-(beta-D-5'-Deoxyribofuranosyl)-5-fluorouracil
1-((3R,4S,5R)-3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione
| 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) | -0.67 | -2.3 | -18.79 | 3 | 7 | 0 | 105 | 246.194 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.21 | -6.55 | -50.85 | 2 | 7 | -1 | 108 | 245.186 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antineoplastic agent | ZereneX Building Blocks |
| Therapy | antineoplastic, pyrimidine antimetabolite | SMDC Pharmakon |
| mechanism | Prodrug of 5-Fluoro-2,4(1 H ,3 H) -pyrimidinedione | ZereneX Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 3600 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 3000 | 0.45 | Functional ≤ 10μM |
