| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2287736
Max Phase: Preclinical
Molecular Formula: C24H32O3
Molecular Weight: 368.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCC(=O)C1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2
Standard InChI: InChI=1S/C24H32O3/c1-5-6-7-8-11-19(25)22-21(20-17(3)14-16(2)15-18(20)4)23(26)27-24(22)12-9-10-13-24/h14-15H,5-13H2,1-4H3
Standard InChI Key: IXBNQKKHWPBEMJ-UHFFFAOYSA-N
Associated Targets(non-human)
Aphis fabae 223 Activities
Tetranychus cinnabarinus 1124 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mythimna separata 3306 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: 368.52 | Molecular Weight (Monoisotopic): 368.2351 | AlogP: 5.77 | #Rotatable Bonds: 7 |
| Polar Surface Area: 43.37 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.27 | CX LogD: 7.27 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.45 | Np Likeness Score: 0.32 |
References
| 1. Zhao JH, Wang ZC, Ji MH, Cheng JL, Zhu GN, Yu CM.. (2012) Synthesis and bioactivity evaluation of novel spiromesifen derivatives., 68 (1): [PMID:21997953] [10.1002/ps.2248] |
Source
Source(1):