| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2385952
Max Phase: Preclinical
Molecular Formula: C27H17ClFNO4
Molecular Weight: 473.89
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)c3ccccc32)c1
Standard InChI: InChI=1S/C27H17ClFNO4/c28-22-13-17(8-10-23(22)29)25-11-9-19(34-25)14-21-20-6-1-2-7-24(20)30(26(21)31)15-16-4-3-5-18(12-16)27(32)33/h1-14H,15H2,(H,32,33)/b21-14+
Standard InChI Key: IRGLJOMTFFOSAQ-KGENOOAVSA-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: 473.89 | Molecular Weight (Monoisotopic): 473.0830 | AlogP: 6.52 | #Rotatable Bonds: 5 |
| Polar Surface Area: 70.75 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.03 | CX Basic pKa: | CX LogP: 5.89 | CX LogD: 2.74 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.33 | Np Likeness Score: -1.37 |
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):