| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3357922
Max Phase: Preclinical
Molecular Formula: C14H18N4O9
Molecular Weight: 386.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCn1c(=O)c2c(no[n+]2[O-])n(COC(COC(C)=O)COC(C)=O)c1=O
Standard InChI: InChI=1S/C14H18N4O9/c1-4-16-13(21)11-12(15-27-18(11)23)17(14(16)22)7-26-10(5-24-8(2)19)6-25-9(3)20/h10H,4-7H2,1-3H3
Standard InChI Key: BOZIPIJJVGFENR-UHFFFAOYSA-N
Associated Targets(Human)
WISH 126 Activities
Associated Targets(non-human)
Vesicular stomatitis virus 4460 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: Small molecule | 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: 386.32 | Molecular Weight (Monoisotopic): 386.1074 | AlogP: -1.73 | #Rotatable Bonds: 8 |
| Polar Surface Area: 158.80 | Molecular Species: NEUTRAL | HBA: 12 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 13 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -2.04 | CX LogD: -2.04 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.38 | Np Likeness Score: -0.20 |
References
| 1. Xu X, Wang J, Yao Q.. (2015) Synthesis and quantitative structure-activity relationship (QSAR) analysis of some novel oxadiazolo[3,4-d]pyrimidine nucleosides derivatives as antiviral agents., 25 (2): [PMID:25515560] [10.1016/j.bmcl.2014.11.065] |
Source
Source(1):