ID: ALA606074
Chembl Id: CHEMBL606074
PubChem CID: 46874211
Max Phase: Preclinical
Molecular Formula: C10H13FN2O6
Molecular Weight: 276.22
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1c(F)c(=O)[nH]c(=O)n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C10H13FN2O6/c1-3-5(11)8(17)12-10(18)13(3)9-7(16)6(15)4(2-14)19-9/h4,6-7,9,14-16H,2H2,1H3,(H,12,17,18)/t4-,6-,7-,9?/m1/s1
Standard InChI Key: AHYNVQRUJCURSM-HSRVFOSPSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 276.22 | Molecular Weight (Monoisotopic): 276.0758 | AlogP: -2.40 | #Rotatable Bonds: 2 |
| Polar Surface Area: 124.78 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: ┄ | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 8.36 | CX Basic pKa: ┄ | CX LogP: -2.01 | CX LogD: -2.06 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.48 | Np Likeness Score: 0.49 |
| 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] |
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