| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3975269
Max Phase: Preclinical
Molecular Formula: C25H24F6N2O
Molecular Weight: 482.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(CC(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1)C(F)(F)F
Standard InChI: InChI=1S/C25H24F6N2O/c1-16(24(26,27)28)14-21(34)32-12-13-33-20(11-10-17-6-3-2-4-7-17)22(25(29,30)31)19-9-5-8-18(15-32)23(19)33/h2-9,16H,10-15H2,1H3
Standard InChI Key: GCYPVXKJZFTPJS-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 |
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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: 482.47 | Molecular Weight (Monoisotopic): 482.1793 | AlogP: 6.38 | #Rotatable Bonds: 5 |
| Polar Surface Area: 25.24 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.18 | CX LogD: 6.18 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.39 | Np Likeness Score: -0.48 |
References
| 1. (2015) Tricyclic indole derivatives useful endothelial lipase inhibitors, |
Source
Source(1):