| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5191686
Max Phase: Preclinical
Molecular Formula: C23H20ClNO3S
Molecular Weight: 425.94
Associated Items:
Representations
Canonical SMILES: O=C1NC2SC(Cl)=C(c3ccc4c(c3O)CCCC4)C2C(O)=C1c1ccccc1
Standard InChI: InChI=1S/C23H20ClNO3S/c24-21-17(15-11-10-12-6-4-5-9-14(12)19(15)26)18-20(27)16(13-7-2-1-3-8-13)22(28)25-23(18)29-21/h1-3,7-8,10-11,18,23,26-27H,4-6,9H2,(H,25,28)
Standard InChI Key: HMJVPMRBYOUZFX-UHFFFAOYSA-N
Associated Targets(Human)
AMP-activated protein kinase, beta-2 subunit 4 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 425.94 | Molecular Weight (Monoisotopic): 425.0852 | AlogP: 4.97 | #Rotatable Bonds: 2 |
| Polar Surface Area: 69.56 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.18 | CX Basic pKa: | CX LogP: 5.28 | CX LogD: 4.04 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.64 | Np Likeness Score: 0.28 |
References
| 1. Tamura Y, Morita I, Hinata Y, Kojima E, Ozasa H, Ikemoto H, Asano M, Wada T, Hayasaki-Kajiwara Y, Iwasaki T, Matsumura K.. (2022) Identification of novel indole derivatives as highly potent AMPK activators with anti-diabetic profiles., 68 [PMID:35513222] [10.1016/j.bmcl.2022.128769] |
Source
Source(1):