| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3941767
Max Phase: Preclinical
Molecular Formula: C11H11BrO4S2
Molecular Weight: 351.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S1(=O)C=C(c2ccc(Br)cc2)S(=O)(=O)CCC1
Standard InChI: InChI=1S/C11H11BrO4S2/c12-10-4-2-9(3-5-10)11-8-17(13,14)6-1-7-18(11,15)16/h2-5,8H,1,6-7H2
Standard InChI Key: TWIDQZOSSNZKQN-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: 351.24 | Molecular Weight (Monoisotopic): 349.9282 | AlogP: 1.98 | #Rotatable Bonds: 1 |
| 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: 0.39 | CX LogD: 0.39 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.78 | Np Likeness Score: -0.51 |
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):