| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2289354
Max Phase: Preclinical
Molecular Formula: C25H26F3N3O2
Molecular Weight: 457.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CCc2c1nn(C)c2C(=O)NC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
Standard InChI: InChI=1S/C25H26F3N3O2/c1-15-5-14-20-21(15)30-31(4)22(20)23(32)29-24(2,3)16-6-10-18(11-7-16)33-19-12-8-17(9-13-19)25(26,27)28/h6-13,15H,5,14H2,1-4H3,(H,29,32)
Standard InChI Key: CFEKDCAQBZQMHZ-UHFFFAOYSA-N
Associated Targets(non-human)
Nephotettix cincticeps 805 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: 457.50 | Molecular Weight (Monoisotopic): 457.1977 | AlogP: 5.95 | #Rotatable Bonds: 5 |
| Polar Surface Area: 56.15 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 1.83 | CX LogP: 5.62 | CX LogD: 5.62 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.52 | Np Likeness Score: -0.79 |
References
| 1. OKADA I, OKUI S, WADA M, TAKAHASHI Y. (1996) Synthesis and Insecticidal Activity of N-(4-Aryloxybenzyl)-pyrazolecarboxamide Derivatives, 21 (3): [10.1584/jpestics.21.305] |
Source
Source(1):