| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4545021
Max Phase: Preclinical
Molecular Formula: C23H21F3N4O2
Molecular Weight: 442.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2C(F)(F)F)c2c1CCC2
Standard InChI: InChI=1S/C23H21F3N4O2/c1-32-19-8-3-2-5-16(19)21-14-6-4-7-15(14)22(30-29-21)28-18-10-9-13(12-20(27)31)11-17(18)23(24,25)26/h2-3,5,8-11H,4,6-7,12H2,1H3,(H2,27,31)(H,28,30)
Standard InChI Key: TUMNRFFXSPDYTK-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: 442.44 | Molecular Weight (Monoisotopic): 442.1617 | AlogP: 4.43 | #Rotatable Bonds: 6 |
| Polar Surface Area: 90.13 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.08 | CX Basic pKa: 3.08 | CX LogP: 4.40 | CX LogD: 4.40 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.59 | Np Likeness Score: -1.06 |
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):