| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2286385
Max Phase: Preclinical
Molecular Formula: C22H20N2
Molecular Weight: 312.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(C2=NCCN2Cc2ccc(-c3ccccc3)cc2)cc1
Standard InChI: InChI=1S/C22H20N2/c1-3-7-19(8-4-1)20-13-11-18(12-14-20)17-24-16-15-23-22(24)21-9-5-2-6-10-21/h1-14H,15-17H2
Standard InChI Key: CXYLQOGESGVEFI-UHFFFAOYSA-N
Associated Targets(non-human)
Tetranychus urticae 2600 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: 312.42 | Molecular Weight (Monoisotopic): 312.1626 | AlogP: 4.62 | #Rotatable Bonds: 4 |
| Polar Surface Area: 15.60 | Molecular Species: BASE | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.65 | CX LogP: 4.86 | CX LogD: 3.62 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.69 | Np Likeness Score: -0.68 |
References
| 1. KAGABU S, SAKOU M, IWAYA K, KIRIYAMA K. (2001) Synthesis and Acaricidal Activity of 1-Arylmethyl-2-arylimidazolidines, 26 (4): [10.1584/jpestics.26.393] |
Source
Source(1):