| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3696229
Max Phase: Preclinical
Molecular Formula: C18H21N3O3
Molecular Weight: 327.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1ccc(C(=O)NCc2ccccc2N2CCCC2)c(O)c1=O
Standard InChI: InChI=1S/C18H21N3O3/c1-20-11-8-14(16(22)18(20)24)17(23)19-12-13-6-2-3-7-15(13)21-9-4-5-10-21/h2-3,6-8,11,22H,4-5,9-10,12H2,1H3,(H,19,23)
Standard InChI Key: PGXBPNYXYTULFR-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: 327.38 | Molecular Weight (Monoisotopic): 327.1583 | AlogP: 1.62 | #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: 4.37 | CX LogP: 1.08 | CX LogD: 1.08 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.89 | Np Likeness Score: -1.17 |
References
| 1. (2015) Pyridinedione carboxamide inhibitors of endothelial lipase, |
Source
Source(1):