| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2261504
Max Phase: Preclinical
Molecular Formula: C22H18O3
Molecular Weight: 330.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc(/C=C/C(=O)c2ccccc2)c1-c1ccc(O)cc1
Standard InChI: InChI=1S/C22H18O3/c1-25-21-9-5-8-17(22(21)18-10-13-19(23)14-11-18)12-15-20(24)16-6-3-2-4-7-16/h2-15,23H,1H3/b15-12+
Standard InChI Key: SXMIGGCWYFRONZ-NTCAYCPXSA-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: 330.38 | Molecular Weight (Monoisotopic): 330.1256 | AlogP: 4.96 | #Rotatable Bonds: 5 |
| Polar Surface Area: 46.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.30 | CX Basic pKa: | CX LogP: 5.08 | CX LogD: 5.07 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.53 | Np Likeness Score: 0.15 |
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):