| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5187104
Max Phase: Preclinical
Molecular Formula: C12H18N4O5
Molecular Weight: 298.30
Associated Items:
Representations
Canonical SMILES: O=C(c1n[nH]nc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N1CCCC1
Standard InChI: InChI=1S/C12H18N4O5/c17-5-6-9(18)10(19)11(21-6)7-8(14-15-13-7)12(20)16-3-1-2-4-16/h6,9-11,17-19H,1-5H2,(H,13,14,15)/t6-,9-,10-,11+/m1/s1
Standard InChI Key: NNUFTBAKDWNIHA-JBRWXDEYSA-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: 298.30 | Molecular Weight (Monoisotopic): 298.1277 | AlogP: -1.81 | #Rotatable Bonds: 3 |
| Polar Surface Area: 131.80 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.26 | CX Basic pKa: | CX LogP: -2.30 | CX LogD: -2.31 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.52 | Np Likeness Score: 0.23 |
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):