| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1791026
Max Phase: Preclinical
Molecular Formula: C10H12N8O3
Molecular Weight: 292.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O
Standard InChI: InChI=1S/C10H12N8O3/c1-5-4-18(10(20)14-9(5)19)8-2-6(15-17-12)7(21-8)3-13-16-11/h4,6-8H,2-3H2,1H3,(H,14,19,20)/t6-,7+,8+/m0/s1
Standard InChI Key: UHGMCTPHQAJLQA-XLPZGREQSA-N
Associated Targets(non-human)
Moloney murine leukemia virus 54 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: 292.26 | Molecular Weight (Monoisotopic): 292.1032 | AlogP: 1.12 | #Rotatable Bonds: 4 |
| Polar Surface Area: 161.61 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.96 | CX Basic pKa: | CX LogP: 0.52 | CX LogD: 0.29 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.50 | Np Likeness Score: 0.64 |
References
| 1. Lin TS, Chen MS, McLaren C, Gao YS, Ghazzouli I, Prusoff WH.. (1987) Synthesis and antiviral activity of various 3'-azido, 3'-amino, 2',3'-unsaturated, and 2',3'-dideoxy analogues of pyrimidine deoxyribonucleosides against retroviruses., 30 (2): [PMID:3643284] [10.1021/jm00385a033] |
Source
Source(1):