| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1778657
Max Phase: Preclinical
Molecular Formula: C24H30O6
Molecular Weight: 414.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC/C=C/COc1ccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1
Standard InChI: InChI=1S/C24H30O6/c1-2-3-4-12-29-19-10-8-16(9-11-19)13-17-6-5-7-18(14-17)24-23(28)22(27)21(26)20(15-25)30-24/h3-11,14,20-28H,2,12-13,15H2,1H3/b4-3+/t20-,21-,22+,23-,24+/m1/s1
Standard InChI Key: PYAANSFDGRQQCG-NFQFPNEVSA-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: 414.50 | Molecular Weight (Monoisotopic): 414.2042 | AlogP: 2.14 | #Rotatable Bonds: 8 |
| 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: 2.71 | CX LogD: 2.71 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.49 | Np Likeness Score: 1.28 |
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):