| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2271123
Max Phase: Preclinical
Molecular Formula: C10H16O3
Molecular Weight: 184.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)C12C=CC(CO)(CC1)OO2
Standard InChI: InChI=1S/C10H16O3/c1-8(2)10-5-3-9(7-11,4-6-10)12-13-10/h3,5,8,11H,4,6-7H2,1-2H3
Standard InChI Key: WPOAVUONCJXJCO-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: 184.24 | Molecular Weight (Monoisotopic): 184.1099 | AlogP: 1.42 | #Rotatable Bonds: 2 |
| Polar Surface Area: 38.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.59 | CX LogD: 1.59 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.52 | Np Likeness Score: 3.08 |
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):