| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4548101
Max Phase: Preclinical
Molecular Formula: C22H20N4O3
Molecular Weight: 388.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2oc(C)cc12
Standard InChI: InChI=1S/C22H20N4O3/c1-13-11-17-20(16-5-3-4-6-18(16)28-2)25-26-22(21(17)29-13)24-15-9-7-14(8-10-15)12-19(23)27/h3-11H,12H2,1-2H3,(H2,23,27)(H,24,26)
Standard InChI Key: QUMPAVZNEFEZNM-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: 388.43 | Molecular Weight (Monoisotopic): 388.1535 | AlogP: 3.98 | #Rotatable Bonds: 6 |
| Polar Surface Area: 103.27 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.99 | CX Basic pKa: 2.09 | CX LogP: 2.88 | CX LogD: 2.88 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.52 | Np Likeness Score: -0.72 |
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):