| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA87163
Max Phase: Preclinical
Molecular Formula: C14H31N3
Molecular Weight: 241.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCNCCCNCCCN1CCCCCC1
Standard InChI: InChI=1S/C14H31N3/c1-2-15-9-7-10-16-11-8-14-17-12-5-3-4-6-13-17/h15-16H,2-14H2,1H3
Standard InChI Key: QSHGSOJHJLGITG-UHFFFAOYSA-N
Associated Targets(Human)
NCI-H157 619 Activities
NCH82 33 Activities
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Spermidine/spermine N(1)-acetyltransferase 1 61 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 241.42 | Molecular Weight (Monoisotopic): 241.2518 | AlogP: 1.84 | #Rotatable Bonds: 9 |
| Polar Surface Area: 27.30 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.59 | CX LogP: 1.23 | CX LogD: -4.12 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.60 | Np Likeness Score: -0.83 |
References
| 1. Casero RA, Woster PM.. (2001) Terminally alkylated polyamine analogues as chemotherapeutic agents., 44 (1): [PMID:11141084] [10.1021/jm000084m] |
Source
Source(1):