| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2289581
Max Phase: Preclinical
Molecular Formula: C19H15ClF3N3O2
Molecular Weight: 409.80
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
Standard InChI: InChI=1S/C19H15ClF3N3O2/c1-26-17(16(20)11-25-26)18(27)24-10-12-2-6-14(7-3-12)28-15-8-4-13(5-9-15)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,27)
Standard InChI Key: BDJOIAQIJGBVFY-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: 409.80 | Molecular Weight (Monoisotopic): 409.0805 | AlogP: 4.81 | #Rotatable Bonds: 5 |
| Polar Surface Area: 56.15 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.13 | CX Basic pKa: 0.38 | CX LogP: 4.10 | CX LogD: 4.10 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.66 | Np Likeness Score: -1.68 |
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):