| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1159476
Max Phase: Preclinical
Molecular Formula: C6H12O5S
Molecular Weight: 196.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CS)[C@H]1O
Standard InChI: InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
Standard InChI Key: OMLRWUJGVBOYQP-DVKNGEFBSA-N
Associated Targets(Human)
Brain glycogen phosphorylase 474 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: 196.22 | Molecular Weight (Monoisotopic): 196.0405 | AlogP: -2.28 | #Rotatable Bonds: 1 |
| Polar Surface Area: 90.15 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.90 | CX Basic pKa: | CX LogP: -1.84 | CX LogD: -1.84 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.30 | Np Likeness Score: 2.12 |
References
| 1. Cruciani G, Watson KA.. (1994) Comparative molecular field analysis using GRID force-field and GOLPE variable selection methods in a study of inhibitors of glycogen phosphorylase b., 37 (16): [PMID:8057302] [10.1021/jm00042a012] |
Source
Source(1):