| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3092450
Max Phase: Preclinical
Molecular Formula: C21H20F3NO
Molecular Weight: 359.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc2c3c(c1)c(C(F)(F)F)c(CCc1ccccc1)n3CCC2
Standard InChI: InChI=1S/C21H20F3NO/c1-26-16-12-15-8-5-11-25-18(10-9-14-6-3-2-4-7-14)19(21(22,23)24)17(13-16)20(15)25/h2-4,6-7,12-13H,5,8-11H2,1H3
Standard InChI Key: MXODNNNPSJJTNP-UHFFFAOYSA-N
Associated Targets(Human)
Endothelial lipase 1021 Activities
Associated Targets(non-human)
Endothelial lipase 55 Activities
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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 |
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Properties
| Molecular Weight: 359.39 | Molecular Weight (Monoisotopic): 359.1497 | AlogP: 5.40 | #Rotatable Bonds: 4 |
| Polar Surface Area: 14.16 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.80 | CX LogD: 5.80 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.61 | Np Likeness Score: -0.34 |
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):