| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYENOPYRAFEN
ID: ALA2287243
Max Phase: Preclinical
Molecular Formula: C24H31N3O2
Molecular Weight: 393.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(/C(OC(=O)C(C)(C)C)=C(\C#N)c2ccc(C(C)(C)C)cc2)c1C
Standard InChI: InChI=1S/C24H31N3O2/c1-15-16(2)26-27(9)20(15)21(29-22(28)24(6,7)8)19(14-25)17-10-12-18(13-11-17)23(3,4)5/h10-13H,1-9H3/b21-19-
Standard InChI Key: APJLTUBHYCOZJI-VZCXRCSSSA-N
Associated Targets(non-human)
Panonychus ulmi 60 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: 393.53 | Molecular Weight (Monoisotopic): 393.2416 | AlogP: 5.32 | #Rotatable Bonds: 3 |
| Polar Surface Area: 67.91 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 2.38 | CX LogP: 5.52 | CX LogD: 5.52 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.40 | Np Likeness Score: -0.86 |
References
| 1. Kramer T, Nauen R.. (2011) Monitoring of spirodiclofen susceptibility in field populations of European red mites, Panonychus ulmi (Koch) (Acari: Tetranychidae), and the cross-resistance pattern of a laboratory-selected strain., 67 (10): [PMID:21520486] [10.1002/ps.2184] |
Source
Source(1):