| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3696226
Max Phase: Preclinical
Molecular Formula: C19H21ClN2O3
Molecular Weight: 360.84
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1c(Cl)cc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1=O
Standard InChI: InChI=1S/C19H21ClN2O3/c1-22-16(20)11-15(17(23)19(22)25)18(24)21-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,11,13-14,23H,7-10H2,1H3,(H,21,24)
Standard InChI Key: LWRPHTQDXOENKI-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: 360.84 | Molecular Weight (Monoisotopic): 360.1241 | AlogP: 3.20 | #Rotatable Bonds: 3 |
| Polar Surface Area: 71.33 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.59 | CX Basic pKa: | CX LogP: 2.73 | CX LogD: 2.71 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.83 | Np Likeness Score: -0.64 |
References
| 1. (2015) Pyridinedione carboxamide inhibitors of endothelial lipase, |
Source
Source(1):