| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2289664
Max Phase: Preclinical
Molecular Formula: C11H13NO2
Molecular Weight: 191.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)/C=C(/C)c1cccnc1
Standard InChI: InChI=1S/C11H13NO2/c1-3-14-11(13)7-9(2)10-5-4-6-12-8-10/h4-8H,3H2,1-2H3/b9-7-
Standard InChI Key: VMZIMOZQKLXCHR-CLFYSBASSA-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: 191.23 | Molecular Weight (Monoisotopic): 191.0946 | AlogP: 2.05 | #Rotatable Bonds: 3 |
| Polar Surface Area: 39.19 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.77 | CX LogP: 1.95 | CX LogD: 1.95 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.54 | Np Likeness Score: -0.55 |
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):