| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA259721
Max Phase: Preclinical
Molecular Formula: C9H18O6S
Molecular Weight: 254.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: [O-][C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO
Standard InChI: InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16?/m0/s1
Standard InChI Key: RPLSMILMVIUFAQ-VVWMKKEXSA-N
Associated Targets(Human)
Glycogen debranching enzyme 27 Activities
Associated Targets(non-human)
Sucrase-isomaltase 908 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 254.30 | Molecular Weight (Monoisotopic): 254.0824 | AlogP: -4.22 | #Rotatable Bonds: 5 |
| Polar Surface Area: 124.21 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.38 | CX Basic pKa: | CX LogP: -5.01 | CX LogD: -5.01 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.32 | Np Likeness Score: 2.38 |
References
| 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] |
Source
Source(1):