| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5198117
Max Phase: Preclinical
Molecular Formula: C9H14N4O5
Molecular Weight: 258.23
Associated Items:
Representations
Canonical SMILES: C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1n[nH]nc1C(N)=O
Standard InChI: InChI=1S/C9H14N4O5/c1-9(17)6(15)3(2-14)18-7(9)4-5(8(10)16)12-13-11-4/h3,6-7,14-15,17H,2H2,1H3,(H2,10,16)(H,11,12,13)/t3-,6-,7+,9-/m1/s1
Standard InChI Key: SXBISKQFSXGYJX-OUKRYMKMSA-N
Associated Targets(Human)
Huh-7.5 200 Activities
Associated Targets(non-human)
Vero 26788 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Zika virus 1028 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 258.23 | Molecular Weight (Monoisotopic): 258.0964 | AlogP: -2.55 | #Rotatable Bonds: 3 |
| Polar Surface Area: 154.58 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.31 | CX Basic pKa: | CX LogP: -2.87 | CX LogD: -2.92 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.40 | Np Likeness Score: 1.04 |
References
| 1. Gonzalez S, Brzuska G, Ouarti A, Gallier F, Solarte C, Ferry A, Uziel J, Krol E, Lubin-Germain N.. (2022) Anti-HCV and Zika activities of ribavirin C-nucleosides analogues., 68 [PMID:35661850] [10.1016/j.bmc.2022.116858] |
Source
Source(1):