| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2006 | 19 | No |
Popular Name: 2-Fluoro-2'-deoxyadenosine 2-Fluoro-2'-deoxyadenosine
Find On: PubMed — Wikipedia — Google
CAS Number: 21679-12-9
2'-deoxy-2-fluoroadenosine; 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-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) | -0.41 | -2.88 | -11.39 | 4 | 8 | 0 | 119 | 269.236 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0473708A1; EP0473708B1; EP0715523A1; EP0817790A1; US4719295; US4997926; US5034518; US5384310; US5552311; US5661136; US5795756; US6017896; US6132957; WO1992020347A1; WO1995007718A2; WO2000012563A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY5-1-E | Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4600 | 0.39 | Binding ≤ 10μM |
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 200 | 0.49 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 900 | 0.45 | Functional ≤ 10μM |
| Z80945-1-O | HEp-2 (Laryngeal Carcinoma Cells) (cluster #1 Of 4), Other | Other | 200 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY5_RAT | Q04400 | Adenylate Cyclase Type V, Rat | 4600 | 0.39 | Binding ≤ 10μM |
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 200 | 0.49 | Functional ≤ 10μM |
| Z80945 | Z80945 | HEp-2 (Laryngeal Carcinoma Cells) | 200 | 0.49 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 900 | 0.45 | Functional ≤ 10μM |
