| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA177890
Max Phase: Preclinical
Molecular Formula: C12H26N2O
Molecular Weight: 214.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)NCCCCCCCCCCN
Standard InChI: InChI=1S/C12H26N2O/c1-12(15)14-11-9-7-5-3-2-4-6-8-10-13/h2-11,13H2,1H3,(H,14,15)
Standard InChI Key: IYQFMEUXLIHZDF-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: 214.35 | Molecular Weight (Monoisotopic): 214.2045 | AlogP: 2.20 | #Rotatable Bonds: 10 |
| Polar Surface Area: 55.12 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.21 | CX LogP: 1.64 | CX LogD: -0.96 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.55 | Np Likeness Score: -0.08 |
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):