| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2271124
Max Phase: Preclinical
Molecular Formula: C11H16O4
Molecular Weight: 212.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)C12C=CC(C(C)C)(CC1)OO2
Standard InChI: InChI=1S/C11H16O4/c1-8(2)10-4-6-11(7-5-10,15-14-10)9(12)13-3/h4,6,8H,5,7H2,1-3H3
Standard InChI Key: VQTXTDQCIXPBJS-UHFFFAOYSA-N
Associated Targets(non-human)
Aphelenchoides besseyi 16 Activities
Meloidogyne incognita 862 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 212.24 | Molecular Weight (Monoisotopic): 212.1049 | AlogP: 1.60 | #Rotatable Bonds: 2 |
| Polar Surface Area: 44.76 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.21 | CX LogD: 2.21 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.40 | Np Likeness Score: 1.92 |
References
| 1. Yen Y, Yeh M, Hsiao W. (2007) Synthesis and nematocidal activity of ascaridole derivatives against Meloidogyne incognita and Aphelenchoides besseyi, 32 (1): [10.1584/jpestics.G06-44] |
Source
Source(1):