| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3699453
Max Phase: Preclinical
Molecular Formula: C20H21N3O3S
Molecular Weight: 383.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(O)CNC(=O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1
Standard InChI: InChI=1S/C20H21N3O3S/c1-13(24)11-21-19(26)12-22-18(25)10-20-23-16-8-7-15(9-17(16)27-20)14-5-3-2-4-6-14/h2-9,13,24H,10-12H2,1H3,(H,21,26)(H,22,25)
Standard InChI Key: ULWIMLYODCBBQM-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: 383.47 | Molecular Weight (Monoisotopic): 383.1304 | AlogP: 2.12 | #Rotatable Bonds: 7 |
| Polar Surface Area: 91.32 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.72 | CX Basic pKa: 1.71 | CX LogP: 1.81 | CX LogD: 1.81 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.58 | Np Likeness Score: -1.41 |
References
| 1. (2015) Acetic acid amide derivative having inhibitory activity on endothelial lipase, |
Source
Source(1):