| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2289576
Max Phase: Preclinical
Molecular Formula: C24H24F3N3O2
Molecular Weight: 443.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CCCc2c1nn(C)c2C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
Standard InChI: InChI=1S/C24H24F3N3O2/c1-15-4-3-5-20-21(15)29-30(2)22(20)23(31)28-14-16-6-10-18(11-7-16)32-19-12-8-17(9-13-19)24(25,26)27/h6-13,15H,3-5,14H2,1-2H3,(H,28,31)
Standard InChI Key: IAAOWTQTVUDERZ-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: 443.47 | Molecular Weight (Monoisotopic): 443.1821 | AlogP: 5.60 | #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: 5.37 | CX LogD: 5.37 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.56 | Np Likeness Score: -0.99 |
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):