| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3696224
Max Phase: Preclinical
Molecular Formula: C20H17FN2O4
Molecular Weight: 368.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(O)c1=O
Standard InChI: InChI=1S/C20H17FN2O4/c1-23-11-10-17(18(24)20(23)26)19(25)22-12-13-2-6-15(7-3-13)27-16-8-4-14(21)5-9-16/h2-11,24H,12H2,1H3,(H,22,25)
Standard InChI Key: OREYUADUTASRJW-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: 368.36 | Molecular Weight (Monoisotopic): 368.1172 | AlogP: 2.95 | #Rotatable Bonds: 5 |
| Polar Surface Area: 80.56 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.99 | CX Basic pKa: | CX LogP: 2.21 | CX LogD: 2.20 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.73 | Np Likeness Score: -1.00 |
References
| 1. (2015) Pyridinedione carboxamide inhibitors of endothelial lipase, |
Source
Source(1):