| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1778658
Max Phase: Preclinical
Molecular Formula: C25H30O6
Molecular Weight: 426.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OC/C=C/CCC3)[C@H](O)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C25H30O6/c26-15-21-22(27)23(28)24(29)25(31-21)18-9-8-17-5-3-1-2-4-12-30-20-10-6-16(7-11-20)13-19(17)14-18/h2,4,6-11,14,21-29H,1,3,5,12-13,15H2/b4-2+/t21-,22-,23+,24-,25+/m1/s1
Standard InChI Key: WJSQWIJDSWCUKE-NAEZJVSPSA-N
Associated Targets(Human)
Low affinity sodium-glucose cotransporter 30 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: 426.51 | Molecular Weight (Monoisotopic): 426.2042 | AlogP: 2.06 | #Rotatable Bonds: 2 |
| Polar Surface Area: 99.38 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.57 | CX Basic pKa: | CX LogP: 2.76 | CX LogD: 2.76 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.55 | Np Likeness Score: 2.04 |
References
| 1. Kang SY, Kim MJ, Lee JS, Lee J.. (2011) Glucosides with cyclic diarylpolynoid as novel C-aryl glucoside SGLT2 inhibitors., 21 (12): [PMID:21592794] [10.1016/j.bmcl.2011.04.063] |
Source
Source(1):