| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA368970
Max Phase: Preclinical
Molecular Formula: C8H18N2O2
Molecular Weight: 174.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)NCCCCCCN
Standard InChI: InChI=1S/C8H18N2O2/c1-12-8(11)10-7-5-3-2-4-6-9/h2-7,9H2,1H3,(H,10,11)
Standard InChI Key: PPNOBJDLQVQFIZ-UHFFFAOYSA-N
Associated Targets(Human)
Polyamine oxidase 84 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: 174.24 | Molecular Weight (Monoisotopic): 174.1368 | AlogP: 0.86 | #Rotatable Bonds: 6 |
| Polar Surface Area: 64.35 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.21 | CX LogP: 0.48 | CX LogD: -2.12 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.59 | Np Likeness Score: -0.14 |
References
| 1. Dredar SA, Blankenship JW, Marchant PE, Manneh V, Fries DS.. (1989) Design and synthesis of inhibitors of N8-acetylspermidine deacetylase., 32 (5): [PMID:2709384] [10.1021/jm00125a010] |
Source
Source(1):