| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2261511
Max Phase: Preclinical
Molecular Formula: C11H13N3O
Molecular Weight: 203.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(/C=C/c1ccccc1)=N\NC(N)=O
Standard InChI: InChI=1S/C11H13N3O/c1-9(13-14-11(12)15)7-8-10-5-3-2-4-6-10/h2-8H,1H3,(H3,12,14,15)/b8-7+,13-9+
Standard InChI Key: XEAXZEMHSLDEEG-NJHPPEEMSA-N
Associated Targets(non-human)
Culex quinquefasciatus 137 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: 203.25 | Molecular Weight (Monoisotopic): 203.1059 | AlogP: 1.74 | #Rotatable Bonds: 3 |
| Polar Surface Area: 67.48 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.85 | CX Basic pKa: 2.17 | CX LogP: 1.56 | CX LogD: 1.56 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.57 | Np Likeness Score: -0.80 |
References
| 1. Begum NA, Roy N, Laskar RA, Roy K. (2011) Mosquito larvicidal studies of some chalcone analogues and their derived products: structureactivity relationship analysis, 20 (2): [10.1007/s00044-010-9305-6] |
Source
Source(1):