| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4527820
Max Phase: Preclinical
Molecular Formula: C23H24N4O3
Molecular Weight: 404.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(CC(N)=O)ccc1Nc1nnc(-c2ccccc2OC)c2c1CCC2
Standard InChI: InChI=1S/C23H24N4O3/c1-29-19-9-4-3-6-17(19)22-15-7-5-8-16(15)23(27-26-22)25-18-11-10-14(13-21(24)28)12-20(18)30-2/h3-4,6,9-12H,5,7-8,13H2,1-2H3,(H2,24,28)(H,25,27)
Standard InChI Key: CUYYTBDGHMEMIJ-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: 404.47 | Molecular Weight (Monoisotopic): 404.1848 | AlogP: 3.42 | #Rotatable Bonds: 7 |
| Polar Surface Area: 99.36 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.06 | CX LogP: 3.37 | CX LogD: 3.37 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.63 | Np Likeness Score: -0.88 |
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):