| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3092449
Max Phase: Preclinical
Molecular Formula: C20H18F3NS
Molecular Weight: 361.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: FC(F)(F)c1c(CCCc2ccccc2)n2c3c(cccc13)SCC2
Standard InChI: InChI=1S/C20H18F3NS/c21-20(22,23)18-15-9-5-11-17-19(15)24(12-13-25-17)16(18)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11H,4,8,10,12-13H2
Standard InChI Key: QIQQQLMUWGWFFL-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 |
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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: 361.43 | Molecular Weight (Monoisotopic): 361.1112 | AlogP: 5.94 | #Rotatable Bonds: 4 |
| Polar Surface Area: 4.93 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.12 | CX LogD: 6.12 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.56 | Np Likeness Score: -0.57 |
References
| 1. Abdel-Magid AF.. (2013) Endothelial lipase inhibitors for the treatment of atherosclerosis and cardiovascular disorders., 4 (11): [PMID:24900598] [10.1021/ml400361q] |
| 2. (2015) Tricyclic indole derivatives useful endothelial lipase inhibitors, |
Source
Source(2):