| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3594290
Max Phase: Preclinical
Molecular Formula: C17H24Cl2O4
Molecular Weight: 363.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(=O)c1c(OC)c(Cl)c(OC)c(Cl)c1OC
Standard InChI: InChI=1S/C17H24Cl2O4/c1-5-6-7-8-9-10-11(20)12-15(21-2)13(18)17(23-4)14(19)16(12)22-3/h5-10H2,1-4H3
Standard InChI Key: HDPLIRGRDMNJKR-UHFFFAOYSA-N
Associated Targets(non-human)
Drosophila (190 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: 363.28 | Molecular Weight (Monoisotopic): 362.1052 | AlogP: 5.56 | #Rotatable Bonds: 10 |
| Polar Surface Area: 44.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.19 | CX LogD: 5.19 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.40 | Np Likeness Score: 0.47 |
References
| 1. Nguyen VH, Kikuchi H, Kubohara Y, Takahashi K, Katou Y, Oshima Y.. (2015) Development of novel DIF-1 derivatives that selectively suppress innate immune responses., 23 (15): [PMID:26122773] [10.1016/j.bmc.2015.06.027] |
Source
Source(1):