| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2261506
Max Phase: Preclinical
Molecular Formula: C15H11NO4
Molecular Weight: 269.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1
Standard InChI: InChI=1S/C15H11NO4/c17-14-7-5-12(6-8-14)15(18)9-4-11-2-1-3-13(10-11)16(19)20/h1-10,17H/b9-4+
Standard InChI Key: WYQHZANXMKJOBP-RUDMXATFSA-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: 269.26 | Molecular Weight (Monoisotopic): 269.0688 | AlogP: 3.20 | #Rotatable Bonds: 4 |
| Polar Surface Area: 80.44 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.62 | CX Basic pKa: | CX LogP: 3.53 | CX LogD: 3.32 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.40 | Np Likeness Score: -0.48 |
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] |
| 2. Mazimba O, Wale K, Loeto D, Kwape T.. (2014) Antioxidant and antimicrobial studies on fused-ring pyrazolones and isoxazolones., 22 (23): [PMID:25456077] [10.1016/j.bmc.2014.10.015] |
Source
Source(1):