| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2289446
Max Phase: Preclinical
Molecular Formula: C23H43NO
Molecular Weight: 349.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC(C)C
Standard InChI: InChI=1S/C23H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-21-20-22(2)3/h8-9,11-12,22H,4-7,10,13-21H2,1-3H3,(H,24,25)/b9-8-,12-11-
Standard InChI Key: UBDYIDHYYIWNDR-MURFETPASA-N
Associated Targets(non-human)
Empoasca fabae 22 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: 349.60 | Molecular Weight (Monoisotopic): 349.3345 | AlogP: 6.96 | #Rotatable Bonds: 17 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.45 | CX LogD: 7.45 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.22 | Np Likeness Score: 0.51 |
References
| 1. Ranger CM, Winter RE, Rottinghaus GE, Backus EA, Johnson DW.. (2005) Mass spectral characterization of fatty acid amides from alfalfa trichomes and their deterrence against the potato leafhopper., 66 (5): [PMID:15721945] [10.1016/j.phytochem.2005.01.012] |
Source
Source(1):