| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1778659
Max Phase: Preclinical
Molecular Formula: C26H32O6
Molecular Weight: 440.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OC/C=C/CCCC3)[C@H](O)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C26H32O6/c27-16-22-23(28)24(29)25(30)26(32-22)19-10-9-18-6-4-2-1-3-5-13-31-21-11-7-17(8-12-21)14-20(18)15-19/h3,5,7-12,15,22-30H,1-2,4,6,13-14,16H2/b5-3+/t22-,23-,24+,25-,26+/m1/s1
Standard InChI Key: BLIXKORVTSPRQD-VCNVZYBUSA-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: 440.54 | Molecular Weight (Monoisotopic): 440.2199 | AlogP: 2.45 | #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: 3.21 | CX LogD: 3.21 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.54 | Np Likeness Score: 1.95 |
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):