| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA456199
Max Phase: Preclinical
Molecular Formula: C23H28O4S2
Molecular Weight: 432.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCSC(SCC)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21
Standard InChI: InChI=1S/C23H28O4S2/c1-3-28-23(29-4-2)20-19-18(25-22(27-20)17-13-9-6-10-14-17)15-24-21(26-19)16-11-7-5-8-12-16/h5-14,18-23H,3-4,15H2,1-2H3/t18-,19+,20-,21+,22-/m1/s1
Standard InChI Key: LDBUJIGWHJRDNE-OQEHDIDLSA-N
Associated Targets(non-human)
Serum 96 Activities
L6 7924 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: 432.61 | Molecular Weight (Monoisotopic): 432.1429 | AlogP: 5.42 | #Rotatable Bonds: 7 |
| Polar Surface Area: 36.92 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.18 | CX LogD: 6.18 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.54 | Np Likeness Score: 0.30 |
References
| 1. Gruzman A, Shamni O, Ben Yakir M, Sandovski D, Elgart A, Alpert E, Cohen G, Hoffman A, Katzhendler Y, Cerasi E, Sasson S.. (2008) Novel D-xylose derivatives stimulate muscle glucose uptake by activating AMP-activated protein kinase alpha., 51 (24): [PMID:19049348] [10.1021/jm8008713] |
Source
Source(1):