| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3699449
Max Phase: Preclinical
Molecular Formula: C19H20N2O3S
Molecular Weight: 356.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCC(O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1
Standard InChI: InChI=1S/C19H20N2O3S/c1-24-12-15(22)11-20-18(23)10-19-21-16-8-7-14(9-17(16)25-19)13-5-3-2-4-6-13/h2-9,15,22H,10-12H2,1H3,(H,20,23)
Standard InChI Key: WZBUNBKEDCWYFZ-UHFFFAOYSA-N
Associated Targets(Human)
Endothelial lipase 1021 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: 356.45 | Molecular Weight (Monoisotopic): 356.1195 | AlogP: 2.63 | #Rotatable Bonds: 7 |
| Polar Surface Area: 71.45 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.71 | CX LogP: 2.52 | CX LogD: 2.52 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.68 | Np Likeness Score: -1.38 |
References
| 1. (2015) Acetic acid amide derivative having inhibitory activity on endothelial lipase, |
Source
Source(1):