| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2289661
Max Phase: Preclinical
Molecular Formula: C13H11N
Molecular Weight: 181.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C(c1ccccc1)c1cccnc1
Standard InChI: InChI=1S/C13H11N/c1-11(12-6-3-2-4-7-12)13-8-5-9-14-10-13/h2-10H,1H2
Standard InChI Key: AAEOSEDYHVWUIF-UHFFFAOYSA-N
Associated Targets(non-human)
Bombyx mori 577 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: 181.24 | Molecular Weight (Monoisotopic): 181.0891 | AlogP: 3.14 | #Rotatable Bonds: 2 |
| Polar Surface Area: 12.89 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.72 | CX LogP: 2.93 | CX LogD: 2.92 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.69 | Np Likeness Score: -0.26 |
References
| 1. YOSHIDA T, SHIOTSUKI T, KUWANO E. (2000) Synthesis and Precocious Metamorphosis-Inducing Activity of 3-(1-Alkenyl) pyridines, 25 (3): [10.1584/jpestics.25.253] |
Source
Source(1):