| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2386116
Max Phase: Preclinical
Molecular Formula: C32H27NO3
Molecular Weight: 473.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)c1ccc(/C(=C2/C(=O)N(Cc3cccc(C(=O)O)c3)c3ccccc32)c2ccccc2)cc1
Standard InChI: InChI=1S/C32H27NO3/c1-21(2)23-15-17-25(18-16-23)29(24-10-4-3-5-11-24)30-27-13-6-7-14-28(27)33(31(30)34)20-22-9-8-12-26(19-22)32(35)36/h3-19,21H,20H2,1-2H3,(H,35,36)/b30-29+
Standard InChI Key: VDWZXUABVAUQGO-QVIHXGFCSA-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: 473.57 | Molecular Weight (Monoisotopic): 473.1991 | AlogP: 7.01 | #Rotatable Bonds: 6 |
| Polar Surface Area: 57.61 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.03 | CX Basic pKa: | CX LogP: 7.19 | CX LogD: 4.05 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.31 | Np Likeness Score: -0.61 |
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):