| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA315330
Max Phase: Preclinical
Molecular Formula: C12H30N3O3P
Molecular Weight: 295.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCNCCCNCCCNCCCOP(C)(=O)O
Standard InChI: InChI=1S/C12H30N3O3P/c1-3-13-7-4-8-14-9-5-10-15-11-6-12-18-19(2,16)17/h13-15H,3-12H2,1-2H3,(H,16,17)
Standard InChI Key: YVXWTBUIUBFZPE-UHFFFAOYSA-N
Associated Targets(Human)
Spermidine/spermine N(1)-acetyltransferase 1 61 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: 295.36 | Molecular Weight (Monoisotopic): 295.2025 | AlogP: 0.78 | #Rotatable Bonds: 14 |
| Polar Surface Area: 82.62 | Molecular Species: ZWITTERION | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.95 | CX Basic pKa: 10.63 | CX LogP: -2.85 | CX LogD: -5.05 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.28 | Np Likeness Score: 0.07 |
References
| 1. Casero RA, Woster PM.. (2001) Terminally alkylated polyamine analogues as chemotherapeutic agents., 44 (1): [PMID:11141084] [10.1021/jm000084m] |
Source
Source(1):