| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3953131
Max Phase: Preclinical
Molecular Formula: C15H19NO5S2
Molecular Weight: 357.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCNC(=O)c1ccc(C2=CS(=O)(=O)CCCS2(=O)=O)cc1
Standard InChI: InChI=1S/C15H19NO5S2/c1-2-8-16-15(17)13-6-4-12(5-7-13)14-11-22(18,19)9-3-10-23(14,20)21/h4-7,11H,2-3,8-10H2,1H3,(H,16,17)
Standard InChI Key: COXZJCVTYQYWAT-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: 357.45 | Molecular Weight (Monoisotopic): 357.0705 | AlogP: 1.36 | #Rotatable Bonds: 4 |
| Polar Surface Area: 97.38 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -0.43 | CX LogD: -0.43 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.88 | Np Likeness Score: -0.84 |
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):