| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2058713
Max Phase: Preclinical
Molecular Formula: C17H29NO2
Molecular Weight: 279.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCCCCCCCCCCCCOc1cccnc1
Standard InChI: InChI=1S/C17H29NO2/c19-14-9-7-5-3-1-2-4-6-8-10-15-20-17-12-11-13-18-16-17/h11-13,16,19H,1-10,14-15H2
Standard InChI Key: GJEBVUZJIDIFSS-UHFFFAOYSA-N
Associated Targets(non-human)
Leishmania mexicana 936 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: 279.42 | Molecular Weight (Monoisotopic): 279.2198 | AlogP: 4.35 | #Rotatable Bonds: 13 |
| Polar Surface Area: 42.35 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.80 | CX LogP: 4.04 | CX LogD: 4.04 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.55 | Np Likeness Score: -0.41 |
References
| 1. García Liñares G, Parraud G, Labriola C, Baldessari A.. (2012) Chemoenzymatic synthesis and biological evaluation of 2- and 3-hydroxypyridine derivatives against Leishmania mexicana., 20 (15): [PMID:22781310] [10.1016/j.bmc.2012.06.028] |
Source
Source(1):