| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2286373
Max Phase: Preclinical
Molecular Formula: C16H13ClF2N2
Molecular Weight: 306.74
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1cccc(F)c1C1=NCCN1Cc1ccc(Cl)cc1
Standard InChI: InChI=1S/C16H13ClF2N2/c17-12-6-4-11(5-7-12)10-21-9-8-20-16(21)15-13(18)2-1-3-14(15)19/h1-7H,8-10H2
Standard InChI Key: FTXPGVFCIYGKRA-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: 306.74 | Molecular Weight (Monoisotopic): 306.0735 | AlogP: 3.88 | #Rotatable Bonds: 3 |
| Polar Surface Area: 15.60 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.72 | CX LogP: 4.10 | CX LogD: 4.10 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.84 | Np Likeness Score: -1.32 |
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):