| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA350508
Max Phase: Preclinical
Molecular Formula: C10H15N5O3
Molecular Weight: 253.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(CO)OCn1cnc2c(O)nc(N)nc21
Standard InChI: InChI=1S/C10H15N5O3/c1-2-6(3-16)18-5-15-4-12-7-8(15)13-10(11)14-9(7)17/h4,6,16H,2-3,5H2,1H3,(H3,11,13,14,17)
Standard InChI Key: HNZUVOSJSMIACT-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: 253.26 | Molecular Weight (Monoisotopic): 253.1175 | AlogP: -0.14 | #Rotatable Bonds: 5 |
| Polar Surface Area: 119.31 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.58 | CX Basic pKa: 1.01 | CX LogP: 0.38 | CX LogD: 0.38 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.68 | Np Likeness Score: -0.04 |
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):