| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2386117
Max Phase: Preclinical
Molecular Formula: C30H20F3NO4
Molecular Weight: 515.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cccc(CN2C(=O)/C(=C(\c3ccccc3)c3ccccc3OC(F)(F)F)c3ccccc32)c1
Standard InChI: InChI=1S/C30H20F3NO4/c31-30(32,33)38-25-16-7-5-14-23(25)26(20-10-2-1-3-11-20)27-22-13-4-6-15-24(22)34(28(27)35)18-19-9-8-12-21(17-19)29(36)37/h1-17H,18H2,(H,36,37)/b27-26+
Standard InChI Key: ICINAXKSSWVRFJ-CYYJNZCTSA-N
Associated Targets(Human)
AMPK alpha2/beta1/gamma1 210 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 515.49 | Molecular Weight (Monoisotopic): 515.1344 | AlogP: 6.79 | #Rotatable Bonds: 6 |
| Polar Surface Area: 66.84 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 4.03 | CX Basic pKa: | CX LogP: 7.38 | CX LogD: 4.23 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.29 | Np Likeness Score: -0.74 |
References
| 1. Yu LF, Li YY, Su MB, Zhang M, Zhang W, Zhang LN, Pang T, Zhang RT, Liu B, Li JY, Li J, Nan FJ.. (2013) Development of Novel Alkene Oxindole Derivatives As Orally Efficacious AMP-Activated Protein Kinase Activators., 4 (5): [PMID:24900695] [10.1021/ml400028q] |
Source
Source(1):