| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2408493
Max Phase: Preclinical
Molecular Formula: C16H16N2
Molecular Weight: 236.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(CN2CCN=C2c2ccccc2)cc1
Standard InChI: InChI=1S/C16H16N2/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15/h1-10H,11-13H2
Standard InChI Key: XECZPMLUVPEPKQ-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: 236.32 | Molecular Weight (Monoisotopic): 236.1313 | AlogP: 2.95 | #Rotatable Bonds: 3 |
| 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: 3.21 | CX LogD: 1.97 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.80 | Np Likeness Score: -0.85 |
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] |
| 2. Azevedo LM, Lansdell TA, Ludwig JR, Mosey RA, Woloch DK, Cogan DP, Patten GP, Kuszpit MR, Fisk JS, Tepe JJ.. (2013) Inhibition of the human proteasome by imidazoline scaffolds., 56 (14): [PMID:23789888] [10.1021/jm400235r] |
Source
Source(1):