| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA27259
Max Phase: Preclinical
Molecular Formula: C9H12N5O6P
Molecular Weight: 317.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1nc(O)c2ncn(OC(/C=C/P(=O)(O)O)CO)c2n1
Standard InChI: InChI=1S/C9H12N5O6P/c10-9-12-7-6(8(16)13-9)11-4-14(7)20-5(3-15)1-2-21(17,18)19/h1-2,4-5,15H,3H2,(H2,17,18,19)(H3,10,12,13,16)/b2-1+
Standard InChI Key: HCQFOWICUCFJOA-OWOJBTEDSA-N
Associated Targets(non-human)
Visna-maedi virus 44 Activities
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: 317.20 | Molecular Weight (Monoisotopic): 317.0525 | AlogP: -1.41 | #Rotatable Bonds: 5 |
| Polar Surface Area: 176.84 | Molecular Species: ACID | HBA: 9 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.53 | CX Basic pKa: | CX LogP: -1.91 | CX LogD: -4.23 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.41 | Np Likeness Score: 0.22 |
References
| 1. Harnden MR, Parkin A, Parratt MJ, Perkins RM.. (1993) Novel acyclonucleotides: synthesis and antiviral activity of alkenylphosphonic acid derivatives of purines and a pyrimidine., 36 (10): [PMID:8496903] [10.1021/jm00062a006] |
Source
Source(1):