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ID: ALA605023
Max Phase: Preclinical
Molecular Formula: C10H13FN2O6
Molecular Weight: 276.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1cc(CF)n(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
Standard InChI: InChI=1S/C10H13FN2O6/c11-2-4-1-6(15)12-10(18)13(4)9-8(17)7(16)5(3-14)19-9/h1,5,7-9,14,16-17H,2-3H2,(H,12,15,18)/t5-,7-,8-,9?/m1/s1
Standard InChI Key: CGECCUIXQTVCJP-HDPJAJKNSA-N
Associated Targets(Human)
MOLT-3 638 Activities
U-937 7138 Activities
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K562 73714 Activities
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IM-9 160 Activities
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PHA-Ly 22 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 276.22 | Molecular Weight (Monoisotopic): 276.0758 | AlogP: -2.38 | #Rotatable Bonds: 3 |
| Polar Surface Area: 124.78 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.81 | CX Basic pKa: | CX LogP: -2.37 | CX LogD: -2.37 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.49 | Np Likeness Score: 0.73 |
References
| 1. Felczak K, Drabikowska AK, Vilpo JA, Kulikowski T, Shugar D.. (1996) 6-Substituted and 5,6-disubstituted derivatives of uridine: stereoselective synthesis, interaction with uridine phosphorylase, and in vitro antitumor activity., 39 (8): [PMID:8648611] [10.1021/jm950675q] |
Source
Source(1):