| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4539293
Max Phase: Preclinical
Molecular Formula: C29H33FN6O4S
Molecular Weight: 580.69
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(C)NC(=O)NCCOCCOc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2F)c2ccsc12
Standard InChI: InChI=1S/C29H33FN6O4S/c1-29(2,3)34-28(38)32-11-12-39-13-14-40-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(36-35-25)33-22-9-8-18(16-21(22)30)17-24(31)37/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,37)(H,33,36)(H2,32,34,38)
Standard InChI Key: BLVLCHZGMIMJLQ-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: 580.69 | Molecular Weight (Monoisotopic): 580.2268 | AlogP: 4.76 | #Rotatable Bonds: 12 |
| Polar Surface Area: 140.49 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.93 | CX Basic pKa: 1.81 | CX LogP: 3.45 | CX LogD: 3.45 |
| Aromatic Rings: 4 | Heavy Atoms: 41 | QED Weighted: 0.18 | Np Likeness Score: -1.78 |
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):