| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2386123
Max Phase: Preclinical
Molecular Formula: C32H27ClN2O2
Molecular Weight: 507.03
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)NC(=O)c1cccc(CN2C(=O)/C(=C(\c3ccccc3)c3ccc(Cl)cc3)c3ccccc32)c1
Standard InChI: InChI=1S/C32H27ClN2O2/c1-21(2)34-31(36)25-12-8-9-22(19-25)20-35-28-14-7-6-13-27(28)30(32(35)37)29(23-10-4-3-5-11-23)24-15-17-26(33)18-16-24/h3-19,21H,20H2,1-2H3,(H,34,36)/b30-29+
Standard InChI Key: HDCCOOJWZMEJMT-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: 507.03 | Molecular Weight (Monoisotopic): 506.1761 | AlogP: 6.98 | #Rotatable Bonds: 6 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.74 | CX LogD: 6.74 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.29 | Np Likeness Score: -1.06 |
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):