| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5274949
Max Phase: Preclinical
Molecular Formula: C19H34N2
Molecular Weight: 290.50
Associated Items:
Representations
Canonical SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCNCC1
Standard InChI: InChI=1S/C19H34N2/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-14-21-15-12-20-13-16-21/h7,9,11,20H,5-6,8,10,12-16H2,1-4H3/b18-9+,19-11+
Standard InChI Key: LUESRGDNECYQIC-ZYCAGONGSA-N
Associated Targets(non-human)
Leishmania amazonensis 3813 Activities
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: 290.50 | Molecular Weight (Monoisotopic): 290.2722 | AlogP: 4.31 | #Rotatable Bonds: 8 |
| Polar Surface Area: 15.27 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.25 | CX LogP: 4.33 | CX LogD: 2.50 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.67 | Np Likeness Score: 0.97 |
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):