| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Coumoxystrobin
ID: ALA2286960
Max Phase: Preclinical
Molecular Formula: C26H28O6
Molecular Weight: 436.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCc1c(C)c2ccc(OCc3ccccc3/C(=C\OC)C(=O)OC)cc2oc1=O
Standard InChI: InChI=1S/C26H28O6/c1-5-6-10-21-17(2)20-13-12-19(14-24(20)32-26(21)28)31-15-18-9-7-8-11-22(18)23(16-29-3)25(27)30-4/h7-9,11-14,16H,5-6,10,15H2,1-4H3/b23-16+
Standard InChI Key: CWVRPJSBNHNJSI-XQNSMLJCSA-N
Associated Targets(non-human)
Cytospora 178 Activities
Pseudoperonospora cubensis 1623 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: 436.50 | Molecular Weight (Monoisotopic): 436.1886 | AlogP: 5.18 | #Rotatable Bonds: 9 |
| Polar Surface Area: 74.97 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.51 | CX LogD: 5.51 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.20 | Np Likeness Score: 0.04 |
References
| 1. Guan AY, Liu CL, Li M, Zhang H, Li ZN, Li ZM.. (2011) Design, synthesis and structure-activity relationship of novel coumarin derivatives., 67 (6): [PMID:21305686] [10.1002/ps.2103] |
Source
Source(1):