| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2381068
Max Phase: Preclinical
Molecular Formula: C20H24FNO2
Molecular Weight: 329.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NCCCCCCc1ccccc1)OCc1ccccc1F
Standard InChI: InChI=1S/C20H24FNO2/c21-19-14-8-7-13-18(19)16-24-20(23)22-15-9-2-1-4-10-17-11-5-3-6-12-17/h3,5-8,11-14H,1-2,4,9-10,15-16H2,(H,22,23)
Standard InChI Key: WQFNTNZUECBLPM-UHFFFAOYSA-N
Associated Targets(non-human)
Endothelial lipase 55 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: 329.42 | Molecular Weight (Monoisotopic): 329.1791 | AlogP: 4.86 | #Rotatable Bonds: 9 |
| Polar Surface Area: 38.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.47 | CX LogD: 5.47 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.67 | Np Likeness Score: -0.87 |
References
| 1. Greco MN, Connelly MA, Leo GC, Olson MW, Powell E, Huang Z, Hawkins M, Smith C, Schalk-Hihi C, Darrow AL, Xin H, Lang W, Damiano BP, Hlasta DJ.. (2013) A thiocarbamate inhibitor of endothelial lipase raises HDL cholesterol levels in mice., 23 (9): [PMID:23528297] [10.1016/j.bmcl.2013.02.113] |
Source
Source(1):