| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3350359
Max Phase: Preclinical
Molecular Formula: C16H17N
Molecular Weight: 223.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)C=C(c1ccccc1)c1cccnc1
Standard InChI: InChI=1S/C16H17N/c1-13(2)11-16(14-7-4-3-5-8-14)15-9-6-10-17-12-15/h3-13H,1-2H3
Standard InChI Key: CVLVXUVBFOUCLA-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: 223.32 | Molecular Weight (Monoisotopic): 223.1361 | AlogP: 4.17 | #Rotatable Bonds: 3 |
| 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: 4.70 | CX LogP: 4.04 | CX LogD: 4.04 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.76 | Np Likeness Score: -0.24 |
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):