| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYTROLANE
ID: ALA2272786
Max Phase: Preclinical
Molecular Formula: C8H16NO3PS2
Molecular Weight: 269.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOP(=O)(/N=C1\SCC(C)S1)OCC
Standard InChI: InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3/b9-8+
Standard InChI Key: LTQSAUHRSCMPLD-CMDGGOBGSA-N
Associated Targets(non-human)
Lepidoptera 26 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: 269.33 | Molecular Weight (Monoisotopic): 269.0309 | AlogP: 3.39 | #Rotatable Bonds: 5 |
| Polar Surface Area: 47.89 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.20 | CX LogD: 2.20 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.72 | Np Likeness Score: 0.11 |
References
| 1. Muralidharan K, Pasalu IC.. (2006) Assessments of crop losses in rice ecosystems due to stem borer damage (Lepidoptera: Pyralidae), 25 (5): [10.1016/j.cropro.2005.06.007] |
Source
Source(1):