| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3092451
Max Phase: Preclinical
Molecular Formula: C21H21F3N2
Molecular Weight: 358.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1cc2c3c(c1)c(C(F)(F)F)c(CCCc1ccccc1)n3CCC2
Standard InChI: InChI=1S/C21H21F3N2/c22-21(23,24)19-17-13-16(25)12-15-9-5-11-26(20(15)17)18(19)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11,25H2
Standard InChI Key: NYYFMHVIESESQY-UHFFFAOYSA-N
Associated Targets(Human)
Endothelial lipase 1021 Activities
Associated Targets(non-human)
Endothelial lipase 55 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 358.41 | Molecular Weight (Monoisotopic): 358.1657 | AlogP: 5.36 | #Rotatable Bonds: 4 |
| Polar Surface Area: 30.95 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 3.30 | CX LogP: 5.57 | CX LogD: 5.57 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.63 | Np Likeness Score: -0.40 |
References
| 1. Abdel-Magid AF.. (2013) Endothelial lipase inhibitors for the treatment of atherosclerosis and cardiovascular disorders., 4 (11): [PMID:24900598] [10.1021/ml400361q] |
Source
Source(1):