| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286097
Max Phase: Preclinical
Molecular Formula: C22H38N2O6
Molecular Weight: 426.55
Associated Items:
Representations
Canonical SMILES: CCCCC[C@@H]1OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C1=O
Standard InChI: InChI=1S/C22H38N2O6/c1-7-9-11-13-17-19(25)23(5)16(4)22(28)30-18(14-12-10-8-2)20(26)24(6)15(3)21(27)29-17/h15-18H,7-14H2,1-6H3/t15-,16-,17+,18+/m1/s1
Standard InChI Key: FVEGGDWLWLILJZ-BDXSIMOUSA-N
Associated Targets(non-human)
Ryanodine receptor 2 21 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: 426.55 | Molecular Weight (Monoisotopic): 426.2730 | AlogP: 2.68 | #Rotatable Bonds: 8 |
| Polar Surface Area: 93.22 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.47 | CX LogD: 3.47 |
| Aromatic Rings: 0 | Heavy Atoms: 30 | QED Weighted: 0.44 | Np Likeness Score: 0.85 |
References
| 1. Smith AN, Blackwell DJ, Knollmann BC, Johnston JN.. (2021) Ring Size as an Independent Variable in Cyclooligomeric Depsipeptide Antiarrhythmic Activity., 12 (12.0): [PMID:34917258] [10.1021/acsmedchemlett.1c00508] |
Source
Source(1):