| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA174887
Max Phase: Preclinical
Molecular Formula: C8H17ClN2O
Molecular Weight: 192.69
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NCCCCCCNC(=O)CCl
Standard InChI: InChI=1S/C8H17ClN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12)
Standard InChI Key: SCOZNWSPESSJEA-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: 192.69 | Molecular Weight (Monoisotopic): 192.1029 | AlogP: 0.86 | #Rotatable Bonds: 7 |
| 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: 0.40 | CX LogD: -2.20 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.46 | Np Likeness Score: -0.46 |
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):