| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280182
Max Phase: Preclinical
Molecular Formula: C15H15N5OS3
Molecular Weight: 377.52
Associated Items:
Representations
Canonical SMILES: CCc1nnsc1C(=O)Nc1nnc(SCc2ccc(C)cc2)s1
Standard InChI: InChI=1S/C15H15N5OS3/c1-3-11-12(24-20-17-11)13(21)16-14-18-19-15(23-14)22-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,16,18,21)
Standard InChI Key: QFVLVJNMQDWXPD-UHFFFAOYSA-N
Associated Targets(Human)
Sulfonylurea receptor 1, Kir6.2 325 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: 377.52 | Molecular Weight (Monoisotopic): 377.0439 | AlogP: 3.81 | #Rotatable Bonds: 6 |
| Polar Surface Area: 80.66 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.62 | CX Basic pKa: | CX LogP: 4.52 | CX LogD: 3.79 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.52 | Np Likeness Score: -2.92 |
References
| 1. Dodd CJ, Chronister KS, Rathnayake U, Parr LC, Li K, Chang S, Mi D, Days EL, Bauer JA, Cho HP, Boutaud O, Denton JS, Lindsley CW, Han C.. (2023) Synthesis and SAR of a novel Kir6.2/SUR1 channel opener scaffold identified by HTS., 87 [PMID:36966977] [10.1016/j.bmcl.2023.129256] |
Source
Source(1):