| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271084
Max Phase: Preclinical
Molecular Formula: C16H36N2
Molecular Weight: 256.48
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCNCCCCN
Standard InChI: InChI=1S/C16H36N2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17/h18H,2-17H2,1H3
Standard InChI Key: FNOMOLVTRWMYBZ-UHFFFAOYSA-N
Associated Targets(non-human)
Leishmania chagasi 396 Activities
Leishmania amazonensis 3813 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 256.48 | Molecular Weight (Monoisotopic): 256.2878 | AlogP: 4.24 | #Rotatable Bonds: 15 |
| Polar Surface Area: 38.05 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.86 | CX LogP: 4.47 | CX LogD: -1.12 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.43 | Np Likeness Score: 0.22 |
References
| 1. Jagu E, Pomel S, Pethe S, Loiseau PM, Labruère R.. (2017) Polyamine-based analogs and conjugates as antikinetoplastid agents., 139 [PMID:28886510] [10.1016/j.ejmech.2017.08.014] |
Source
Source(1):