| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3594286
Max Phase: Preclinical
Molecular Formula: C13H16Cl2O3
Molecular Weight: 291.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCC(=O)c1c(O)c(Cl)c(C)c(Cl)c1O
Standard InChI: InChI=1S/C13H16Cl2O3/c1-3-4-5-6-8(16)9-12(17)10(14)7(2)11(15)13(9)18/h17-18H,3-6H2,1-2H3
Standard InChI Key: PCVSDQVOWQEFQZ-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: 291.17 | Molecular Weight (Monoisotopic): 290.0476 | AlogP: 4.48 | #Rotatable Bonds: 5 |
| Polar Surface Area: 57.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.15 | CX Basic pKa: | CX LogP: 5.98 | CX LogD: 5.51 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.62 | Np Likeness Score: 0.78 |
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):