| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 17 | Yes |
Popular Name: 2-b-D-Ribofuranosyl-4-thiazolecarboxamide 2-b-D-Ribofuranosyl-4-thiazoleca…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 60084-10-8 , [60084-10-8]
2-beta-D-Ribofuranosyl-4-thiazolecarboxamide
2-ribofuranosylthiazole-4-carboxamide
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide
4-Thiazolecarboxamide, 2-beta-D-ribofuranosyl-
60084-10-8; D06130; Tiazofurin (USAN); Tiazofurine (INN)
| 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) | -1.52 | -8.8 | -12.79 | 5 | 7 | 0 | 126 | 260.271 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 94 | 0.58 | Functional ≤ 10μM |
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 10000 | 0.41 | Functional ≤ 10μM |
| Z80068-1-O | CCRF-SB (Lymphoblastic Leukemia Cells) (cluster #1 Of 5), Other | Other | 7500 | 0.42 | Functional ≤ 10μM |
| Z80092-1-O | CHO-K1 (Ovarian Cells) (cluster #1 Of 2), Other | Other | 6400 | 0.43 | Functional ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 9320 | 0.41 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 1010 | 0.49 | Functional ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 5290 | 0.43 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 7400 | 0.42 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 8490 | 0.42 | Functional ≤ 10μM |
| Z80285-1-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #1 Of 4), Other | Other | 5200 | 0.44 | Functional ≤ 10μM |
| Z80291-1-O | MRC5 (Embryonic Lung Fibroblast Cells) (cluster #1 Of 3), Other | Other | 850 | 0.50 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 2200 | 0.47 | Functional ≤ 10μM |
| Z80414-1-O | Raji (B-lymphoblastic Cells) (cluster #1 Of 3), Other | Other | 8200 | 0.42 | Functional ≤ 10μM |
| Z80595-1-O | WIL2-NS (Lymphoblastoid Cells) (cluster #1 Of 2), Other | Other | 5700 | 0.43 | Functional ≤ 10μM |
| Z81166-1-O | LLC Cell Line (cluster #1 Of 1), Other | Other | 1500 | 0.48 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 4760 | 0.44 | Functional ≤ 10μM |
| Z80156-1-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 4), Other | Other | 1840 | 0.47 | ADME/T ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other | Other | 890 | 0.50 | ADME/T ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 3), Other | Other | 5290 | 0.43 | ADME/T ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 2), Other | Other | 6390 | 0.43 | ADME/T ≤ 10μM |
| Z80291-1-O | MRC5 (Embryonic Lung Fibroblast Cells) (cluster #1 Of 3), Other | Other | 850 | 0.50 | ADME/T ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 2), Other | Other | 510 | 0.52 | ADME/T ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 4760 | 0.44 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 10000 | 0.41 | Functional ≤ 10μM |
| Z80068 | Z80068 | CCRF-SB (Lymphoblastic Leukemia Cells) | 7500 | 0.42 | Functional ≤ 10μM |
| Z80092 | Z80092 | CHO-K1 (Ovarian Cells) | 6400 | 0.43 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 4760 | 0.44 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 2500 | 0.46 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 101 | 0.58 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 1010 | 0.49 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 2500 | 0.46 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 2900 | 0.46 | Functional ≤ 10μM |
| Z81166 | Z81166 | LLC Cell Line | 1500 | 0.48 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 7980 | 0.42 | Functional ≤ 10μM |
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 5200 | 0.44 | Functional ≤ 10μM |
| Z80291 | Z80291 | MRC5 (Embryonic Lung Fibroblast Cells) | 490 | 0.52 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 2200 | 0.47 | Functional ≤ 10μM |
| Z80414 | Z80414 | Raji (B-lymphoblastic Cells) | 8200 | 0.42 | Functional ≤ 10μM |
| Z80595 | Z80595 | WIL2-NS (Lymphoblastoid Cells) | 5700 | 0.43 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 4760 | 0.44 | ADME/T ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 1840 | 0.47 | ADME/T ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 1010 | 0.49 | ADME/T ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 140 | 0.56 | ADME/T ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 2980 | 0.46 | ADME/T ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 6390 | 0.43 | ADME/T ≤ 10μM |
| Z80291 | Z80291 | MRC5 (Embryonic Lung Fibroblast Cells) | 850 | 0.50 | ADME/T ≤ 10μM |
