| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2286374
Max Phase: Preclinical
Molecular Formula: C15H15N3
Molecular Weight: 237.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(C2=NCCN2Cc2cccnc2)cc1
Standard InChI: InChI=1S/C15H15N3/c1-2-6-14(7-3-1)15-17-9-10-18(15)12-13-5-4-8-16-11-13/h1-8,11H,9-10,12H2
Standard InChI Key: MLQYMZKNHLDKJK-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: 237.31 | Molecular Weight (Monoisotopic): 237.1266 | AlogP: 2.34 | #Rotatable Bonds: 3 |
| Polar Surface Area: 28.49 | Molecular Species: BASE | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.61 | CX LogP: 1.99 | CX LogD: 0.78 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.82 | Np Likeness Score: -1.17 |
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):