| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4550275
Max Phase: Preclinical
Molecular Formula: C24H18FN5O2S2
Molecular Weight: 491.57
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(=O)Cc1ccc(Nc2nnc(-c3ccccc3OCc3cscn3)c3sccc23)c(F)c1
Standard InChI: InChI=1S/C24H18FN5O2S2/c25-18-9-14(10-21(26)31)5-6-19(18)28-24-17-7-8-34-23(17)22(29-30-24)16-3-1-2-4-20(16)32-11-15-12-33-13-27-15/h1-9,12-13H,10-11H2,(H2,26,31)(H,28,30)
Standard InChI Key: SWYYAJBPHALFGE-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: 491.57 | Molecular Weight (Monoisotopic): 491.0886 | AlogP: 5.30 | #Rotatable Bonds: 8 |
| Polar Surface Area: 103.02 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.93 | CX Basic pKa: 1.94 | CX LogP: 4.00 | CX LogD: 4.00 |
| Aromatic Rings: 5 | Heavy Atoms: 34 | QED Weighted: 0.31 | Np Likeness Score: -2.02 |
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):