| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA171682
Max Phase: Preclinical
Molecular Formula: C4H9NaO4S
Molecular Weight: 154.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)([O-])CCCCO.[Na+]
Standard InChI: InChI=1S/C4H10O4S.Na/c5-3-1-2-4-9(6,7)8;/h5H,1-4H2,(H,6,7,8);/q;+1/p-1
Standard InChI Key: GEDBQJUJNQVBHE-UHFFFAOYSA-M
Associated Targets(non-human)
Gamma-hydroxybutyrate receptor 68 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: 154.19 | Molecular Weight (Monoisotopic): 154.0300 | AlogP: -0.35 | #Rotatable Bonds: 4 |
| Polar Surface Area: 74.60 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: -1.03 | CX Basic pKa: | CX LogP: -1.97 | CX LogD: -3.30 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.43 | Np Likeness Score: 0.54 |
References
| 1. Bourguignon JJ, Schoenfelder A, Schmitt M, Wermuth CG, Hechler V, Charlier B, Maitre M.. (1988) Analogues of gamma-hydroxybutyric acid. Synthesis and binding studies., 31 (5): [PMID:3361576] [10.1021/jm00400a001] |
Source
Source(1):