ID: ALA408278
Chembl Id: CHEMBL408278
Cas Number: 160882-26-8
PubChem CID: 11423684
Max Phase: Preclinical
Molecular Formula: C5H10O3S
Molecular Weight: 150.20
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: OC[C@H]1SC[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C5H10O3S/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5+/m1/s1
Standard InChI Key: VLVSFIRYIVAVKW-WDCZJNDASA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Natural Product: Yes | 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 150.20 | Molecular Weight (Monoisotopic): 150.0351 | AlogP: -1.18 | #Rotatable Bonds: 1 |
| Polar Surface Area: 60.69 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.37 | CX Basic pKa: | CX LogP: -1.50 | CX LogD: -1.50 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.44 | Np Likeness Score: 0.99 |
| 1. Minami Y, Kuriyama C, Ikeda K, Kato A, Takebayashi K, Adachi I, Fleet GW, Kettawan A, Okamoto T, Asano N.. (2008) Effect of five-membered sugar mimics on mammalian glycogen-degrading enzymes and various glucosidases., 16 (6): [PMID:18258441] [10.1016/j.bmc.2008.01.032] |
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