| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3980007
Max Phase: Preclinical
Molecular Formula: C17H22O4S2
Molecular Weight: 354.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S1(=O)C=C(c2ccc(C3CCCCC3)cc2)S(=O)(=O)CCC1
Standard InChI: InChI=1S/C17H22O4S2/c18-22(19)11-4-12-23(20,21)17(13-22)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h7-10,13-14H,1-6,11-12H2
Standard InChI Key: MWEWMWQBVCJDMA-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: 354.49 | Molecular Weight (Monoisotopic): 354.0960 | AlogP: 3.27 | #Rotatable Bonds: 2 |
| Polar Surface Area: 68.28 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.73 | CX LogD: 1.73 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.82 | Np Likeness Score: -0.26 |
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):