| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5290003
Max Phase: Preclinical
Molecular Formula: C11H19NO3
Molecular Weight: 213.28
Associated Items:
Representations
Canonical SMILES: CCCCC[C@H]1OC(=O)[C@H](C)N(C)C1=O
Standard InChI: InChI=1S/C11H19NO3/c1-4-5-6-7-9-10(13)12(3)8(2)11(14)15-9/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
Standard InChI Key: VJZCXZGOQMPVDZ-DTWKUNHWSA-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: 213.28 | Molecular Weight (Monoisotopic): 213.1365 | AlogP: 1.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.61 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.74 | CX LogD: 1.74 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.52 | Np Likeness Score: 1.70 |
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):