| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA364961
Max Phase: Preclinical
Molecular Formula: C14H35N5
Molecular Weight: 273.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCNCCCNCCC(N)CNCCCNCC
Standard InChI: InChI=1S/C14H35N5/c1-3-16-8-5-10-18-12-7-14(15)13-19-11-6-9-17-4-2/h14,16-19H,3-13,15H2,1-2H3
Standard InChI Key: JHKFBFYCWKXNIG-UHFFFAOYSA-N
Associated Targets(non-human)
L1210 27553 Activities
Spermidine/spermine N(1)-acetyltransferase (SAT) 56 Activities
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Ornithine decarboxylase 263 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 273.47 | Molecular Weight (Monoisotopic): 273.2892 | AlogP: -0.12 | #Rotatable Bonds: 15 |
| Polar Surface Area: 74.14 | Molecular Species: BASE | HBA: 5 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.71 | CX LogP: -1.13 | CX LogD: -8.63 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.27 | Np Likeness Score: 0.09 |
References
| 1. Bergeron RJ, Huang G, McManis JS, Yao H, Nguyen JN.. (2005) Synthesis and biological evaluation of aminopolyamines., 48 (9): [PMID:15857111] [10.1021/jm050024m] |
Source
Source(1):