| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA352048
Max Phase: Preclinical
Molecular Formula: C9H15N3O3
Molecular Weight: 213.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(CO)OCn1ccc(N)nc1=O
Standard InChI: InChI=1S/C9H15N3O3/c1-2-7(5-13)15-6-12-4-3-8(10)11-9(12)14/h3-4,7,13H,2,5-6H2,1H3,(H2,10,11,14)
Standard InChI Key: GCIPZASZAKIIIV-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: 213.24 | Molecular Weight (Monoisotopic): 213.1113 | AlogP: -0.43 | #Rotatable Bonds: 5 |
| Polar Surface Area: 90.37 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -0.70 | CX LogD: -0.70 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.69 | Np Likeness Score: 0.47 |
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):