| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5184195
Max Phase: Preclinical
Molecular Formula: C14H23N5O6
Molecular Weight: 357.37
Associated Items:
Representations
Canonical SMILES: NCCCCCC(=O)OC[C@H]1O[C@@H](c2n[nH]nc2C(N)=O)[C@H](O)[C@@H]1O
Standard InChI: InChI=1S/C14H23N5O6/c15-5-3-1-2-4-8(20)24-6-7-11(21)12(22)13(25-7)9-10(14(16)23)18-19-17-9/h7,11-13,21-22H,1-6,15H2,(H2,16,23)(H,17,18,19)/t7-,11-,12-,13+/m1/s1
Standard InChI Key: LWYSOGKPBAOCDQ-YAUNCSCZSA-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: 357.37 | Molecular Weight (Monoisotopic): 357.1648 | AlogP: -1.87 | #Rotatable Bonds: 9 |
| Polar Surface Area: 186.67 | Molecular Species: BASE | HBA: 9 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 8.30 | CX Basic pKa: 10.20 | CX LogP: -3.64 | CX LogD: -4.44 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.25 | Np Likeness Score: 0.81 |
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):