| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3962750
Max Phase: Preclinical
Molecular Formula: C20H19F3N2
Molecular Weight: 344.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: FC(F)(F)c1c(CCc2ccccc2)n2c3c(cccc13)CNCC2
Standard InChI: InChI=1S/C20H19F3N2/c21-20(22,23)18-16-8-4-7-15-13-24-11-12-25(19(15)16)17(18)10-9-14-5-2-1-3-6-14/h1-8,24H,9-13H2
Standard InChI Key: LHVPGPAHCXMIAZ-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: 344.38 | Molecular Weight (Monoisotopic): 344.1500 | AlogP: 4.55 | #Rotatable Bonds: 3 |
| Polar Surface Area: 16.96 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.89 | CX LogP: 4.86 | CX LogD: 3.36 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.74 | Np Likeness Score: -0.32 |
References
| 1. (2015) Tricyclic indole derivatives useful endothelial lipase inhibitors, |
Source
Source(1):