| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA164926
Max Phase: Preclinical
Molecular Formula: C10H14N4O3
Molecular Weight: 238.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(CO)OCn1cnc2c(O)ncnc21
Standard InChI: InChI=1S/C10H14N4O3/c1-2-7(3-15)17-6-14-5-13-8-9(14)11-4-12-10(8)16/h4-5,7,15H,2-3,6H2,1H3,(H,11,12,16)
Standard InChI Key: PIAIQOFCDIINSS-UHFFFAOYSA-N
Associated Targets(Human)
ATH-8 cell line 300 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: 238.25 | Molecular Weight (Monoisotopic): 238.1066 | AlogP: 0.28 | #Rotatable Bonds: 5 |
| Polar Surface Area: 93.29 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.68 | CX Basic pKa: 0.70 | CX LogP: 0.53 | CX LogD: 0.53 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.78 | Np Likeness Score: 0.00 |
References
| 1. Abushanab E, Sarma MS.. (1989) 1',2'-seco-dideoxynucleosides as potential anti-HIV agents., 32 (1): [PMID:2909746] [10.1021/jm00121a016] |
Source
Source(1):