| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3696228
Max Phase: Preclinical
Molecular Formula: C19H23N3O3
Molecular Weight: 341.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1ccc(C(=O)NCc2ccccc2N2CCCCC2)c(O)c1=O
Standard InChI: InChI=1S/C19H23N3O3/c1-21-12-9-15(17(23)19(21)25)18(24)20-13-14-7-3-4-8-16(14)22-10-5-2-6-11-22/h3-4,7-9,12,23H,2,5-6,10-11,13H2,1H3,(H,20,24)
Standard InChI Key: RYWFWIJSJGYZTQ-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: 341.41 | Molecular Weight (Monoisotopic): 341.1739 | AlogP: 2.01 | #Rotatable Bonds: 4 |
| Polar Surface Area: 74.57 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.24 | CX Basic pKa: 4.81 | CX LogP: 1.53 | CX LogD: 1.52 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.89 | Np Likeness Score: -1.13 |
References
| 1. (2015) Pyridinedione carboxamide inhibitors of endothelial lipase, |
Source
Source(1):