| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5181074
Max Phase: Preclinical
Molecular Formula: C24H38N4O16
Molecular Weight: 638.58
Associated Items:
Representations
Canonical SMILES: NC(=O)c1n[nH]nc1[C@@H]1O[C@H](COC(=O)CCC(=O)OCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C24H38N4O16/c25-23(37)16-15(26-28-27-16)22-20(35)18(33)12(43-22)10-42-14(31)2-1-13(30)40-7-5-38-3-4-39-6-8-41-24-21(36)19(34)17(32)11(9-29)44-24/h11-12,17-22,24,29,32-36H,1-10H2,(H2,25,37)(H,26,27,28)/t11-,12-,17+,18-,19+,20-,21-,22+,24-/m1/s1
Standard InChI Key: APNRHBNPDLQORV-NAGYVTFUSA-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 |
|---|
Zika virus 1028 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 638.58 | Molecular Weight (Monoisotopic): 638.2283 | AlogP: -5.22 | #Rotatable Bonds: 18 |
| Polar Surface Area: 304.79 | Molecular Species: NEUTRAL | HBA: 18 | HBD: 8 |
| #RO5 Violations: 3 | HBA (Lipinski): 20 | HBD (Lipinski): 9 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: 8.31 | CX Basic pKa: | CX LogP: -5.30 | CX LogD: -5.35 |
| Aromatic Rings: 1 | Heavy Atoms: 44 | QED Weighted: 0.05 | Np Likeness Score: 0.74 |
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):