| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3941717
Max Phase: Preclinical
Molecular Formula: C18H16O6S2
Molecular Weight: 392.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Oc1ccccc1)c1cccc(C2=CS(=O)(=O)CCCS2(=O)=O)c1
Standard InChI: InChI=1S/C18H16O6S2/c19-18(24-16-8-2-1-3-9-16)15-7-4-6-14(12-15)17-13-25(20,21)10-5-11-26(17,22)23/h1-4,6-9,12-13H,5,10-11H2
Standard InChI Key: CXTWTZZPGVLLDK-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: 392.45 | Molecular Weight (Monoisotopic): 392.0388 | AlogP: 2.44 | #Rotatable Bonds: 3 |
| Polar Surface Area: 94.58 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.28 | CX LogD: 1.28 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.59 | Np Likeness Score: -0.60 |
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):