| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5186102
Max Phase: Preclinical
Molecular Formula: C10H14N4O7
Molecular Weight: 302.24
Associated Items:
Representations
Canonical SMILES: O=C(O)CNC(=O)c1n[nH]nc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C10H14N4O7/c15-2-3-7(18)8(19)9(21-3)5-6(13-14-12-5)10(20)11-1-4(16)17/h3,7-9,15,18-19H,1-2H2,(H,11,20)(H,16,17)(H,12,13,14)/t3-,7-,8-,9+/m1/s1
Standard InChI Key: WXGIRRNZGGOUDX-KSYZLYKTSA-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 |
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Properties
| Molecular Weight: 302.24 | Molecular Weight (Monoisotopic): 302.0862 | AlogP: -3.23 | #Rotatable Bonds: 5 |
| Polar Surface Area: 177.89 | Molecular Species: ACID | HBA: 8 | HBD: 6 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 2.79 | CX Basic pKa: | CX LogP: -3.45 | CX LogD: -7.00 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.33 | Np Likeness Score: 0.55 |
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):