ID: ALA2251603
Max Phase: Preclinical
Molecular Formula: C16H25NO2
Molecular Weight: 263.38
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCCCCCCCCOC(=O)c1ccncc1
Standard InChI: InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-19-16(18)15-10-12-17-13-11-15/h10-13H,2-9,14H2,1H3
Standard InChI Key: FCQDHSSRNVWWOE-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 263.38 | Molecular Weight (Monoisotopic): 263.1885 | AlogP: 4.38 | #Rotatable Bonds: 10 |
| Polar Surface Area: 39.19 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.43 | CX LogP: 4.75 | CX LogD: 4.75 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.46 | Np Likeness Score: -0.29 |
| 1. Teulon DA, Davidson MM, Hedderley DI, James DE, Fletcher CD, Larsen L, Green VC, Perry NB.. (2007) 4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments., 55 (15): [PMID:17602496] [10.1021/jf070389a] |
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