| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3972601
Max Phase: Preclinical
Molecular Formula: C12H11F3O5S2
Molecular Weight: 356.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S1(=O)C=C(c2cccc(OC(F)(F)F)c2)S(=O)(=O)CCC1
Standard InChI: InChI=1S/C12H11F3O5S2/c13-12(14,15)20-10-4-1-3-9(7-10)11-8-21(16,17)5-2-6-22(11,18)19/h1,3-4,7-8H,2,5-6H2
Standard InChI Key: OLXNBORTDITPJN-UHFFFAOYSA-N
Associated Targets(Human)
Galanin receptor 1 253 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: 356.34 | Molecular Weight (Monoisotopic): 356.0000 | AlogP: 2.12 | #Rotatable Bonds: 2 |
| Polar Surface Area: 77.51 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.05 | CX LogD: 1.05 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.81 | Np Likeness Score: -0.80 |
References
| 1. (2002) 1,4-dithiin and 1,4-dithiepin-1,1,4,4, tetroxide derivatives useful as antagonists of the human galanin receptor, |
Source
Source(1):