| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 18 | Yes |
Popular Name: 5-FLUOROURIDINE 5-FLUOROURIDINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 179383-02-9 , 316-46-1 , 77180-80-4 , 77180-80-4/316-46-1 , [316-46-1]
316-46-1; 5-Fluorouridine; C16633
5-Fluoro-1-(beta-D-ribofuranosyl)uracil
| 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) | -1.68 | -6.46 | -14.66 | 4 | 8 | 0 | 125 | 262.193 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.22 | -9.21 | -53.85 | 3 | 8 | -1 | 128 | 261.185 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 182-184° | Fluorochem |
| MP | 185 | TCI |
| ALOGPS_SOLUBILITY | 6.07e+01 g/l | DrugBank-experimental |
| Purity | 97% | Fluorochem |
| Purity | 99% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0628567A1; EP0630904A1 | IBM Patent Data |
| UniProt Database Links | UCK1_HUMAN; UCK1_MOUSE; UCK2_HUMAN; UCK2_MOUSE; UCK2_RAT; YJJG_ECO57; YJJG_ECOLI | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 50 | 0.57 | Functional ≤ 10μM |
| Z80101-2-O | COLO 320DM (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other | Other | 5 | 0.65 | Functional ≤ 10μM |
| Z80120-1-O | DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 73 | 0.56 | Functional ≤ 10μM |
| Z80136-1-O | FM3A (Breast Carcinoma Cells) (cluster #1 Of 6), Other | Other | 14 | 0.61 | Functional ≤ 10μM |
| Z80164-1-O | HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other | Other | 41 | 0.57 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 5 | 0.65 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 720 | 0.48 | Functional ≤ 10μM |
| Z80268-2-O | MKN-28 (Gastric Epithelial Carcinoma Cells) (cluster #2 Of 2), Other | Other | 28 | 0.59 | Functional ≤ 10μM |
| Z80269-1-O | MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 26 | 0.59 | Functional ≤ 10μM |
| Z80347-2-O | NUGC-3 (Gastric Carcinoma Cells) (cluster #2 Of 2), Other | Other | 22 | 0.60 | Functional ≤ 10μM |
| Z80525-2-O | SW48 (cluster #2 Of 2), Other | Other | 16 | 0.61 | Functional ≤ 10μM |
| Z80532-1-O | T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other | Other | 14 | 0.61 | Functional ≤ 10μM |
| Z80682-9-O | A549 (Lung Carcinoma Cells) (cluster #9 Of 11), Other | Other | 1900 | 0.44 | Functional ≤ 10μM |
| Z80686-1-O | AZ-521 Cell Line (cluster #1 Of 1), Other | Other | 50 | 0.57 | Functional ≤ 10μM |
| Z81121-1-O | KKLS Cell Line (cluster #1 Of 1), Other | Other | 16 | 0.61 | Functional ≤ 10μM |
| Z81247-7-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #7 Of 9), Other | Other | 22 | 0.60 | Functional ≤ 10μM |
| Z81330-1-O | SNU- (cluster #1 Of 1), Other | Other | 45 | 0.57 | Functional ≤ 10μM |
| Z81335-3-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other | Other | 47 | 0.57 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 1900 | 0.44 | Functional ≤ 10μM |
| Z80686 | Z80686 | AZ-521 Cell Line | 50 | 0.57 | Functional ≤ 10μM |
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 50 | 0.57 | Functional ≤ 10μM |
| Z80101 | Z80101 | COLO 320DM (Colon Adenocarcinoma Cells) | 5.4 | 0.64 | Functional ≤ 10μM |
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 73 | 0.56 | Functional ≤ 10μM |
| Z80136 | Z80136 | FM3A (Breast Carcinoma Cells) | 14 | 0.61 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 47 | 0.57 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 16 | 0.61 | Functional ≤ 10μM |
| Z80164 | Z80164 | HT-1080 (Fibrosarcoma Cells) | 41 | 0.57 | Functional ≤ 10μM |
| Z81121 | Z81121 | KKLS Cell Line | 16 | 0.61 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1200 | 0.46 | Functional ≤ 10μM |
| Z80268 | Z80268 | MKN-28 (Gastric Epithelial Carcinoma Cells) | 28 | 0.59 | Functional ≤ 10μM |
| Z80269 | Z80269 | MKN-45 (Gastric Adenocarcinoma Cells) | 26 | 0.59 | Functional ≤ 10μM |
| Z80347 | Z80347 | NUGC-3 (Gastric Carcinoma Cells) | 22 | 0.60 | Functional ≤ 10μM |
| Z81330 | Z81330 | SNU- | 45 | 0.57 | Functional ≤ 10μM |
| Z80525 | Z80525 | SW48 | 16 | 0.61 | Functional ≤ 10μM |
| Z80532 | Z80532 | T-24 (Bladder Carcinoma Cells) | 14 | 0.61 | Functional ≤ 10μM |
