| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4469586
Max Phase: Preclinical
Molecular Formula: C25H23FN4O4S
Molecular Weight: 494.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(=O)Cc1ccc(Nc2nnc(-c3ccccc3OCC3COCCO3)c3sccc23)c(F)c1
Standard InChI: InChI=1S/C25H23FN4O4S/c26-19-11-15(12-22(27)31)5-6-20(19)28-25-18-7-10-35-24(18)23(29-30-25)17-3-1-2-4-21(17)34-14-16-13-32-8-9-33-16/h1-7,10-11,16H,8-9,12-14H2,(H2,27,31)(H,28,30)
Standard InChI Key: NZPBVZAPPICUKF-UHFFFAOYSA-N
Associated Targets(non-human)
Solute carrier family 2, facilitated glucose transporter member 4 143 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 494.55 | Molecular Weight (Monoisotopic): 494.1424 | AlogP: 4.06 | #Rotatable Bonds: 8 |
| Polar Surface Area: 108.59 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.93 | CX Basic pKa: 0.83 | CX LogP: 3.33 | CX LogD: 3.33 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.38 | Np Likeness Score: -1.49 |
References
| 1. Tsuji T, Yamaguchi M, Kuroyanagi J, Furuzono S, Konishi M, Terayama K, Tanaka J, Saito M, Kobayashi Y.. (2019) Discovery of novel pyridazine derivatives as glucose transporter type 4 (GLUT4) translocation activators., 29 (14): [PMID:31101471] [10.1016/j.bmcl.2019.05.013] |
Source
Source(1):