| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3699450
Max Phase: Preclinical
Molecular Formula: C24H17F3N2O3S
Molecular Weight: 470.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Cc1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2s1)NCc1cccc(C(=O)O)c1
Standard InChI: InChI=1S/C24H17F3N2O3S/c25-24(26,27)18-6-2-4-15(10-18)16-7-8-20-19(11-16)29-22(33-20)12-21(30)28-13-14-3-1-5-17(9-14)23(31)32/h1-11H,12-13H2,(H,28,30)(H,31,32)
Standard InChI Key: WMGWWCDOTBAGJW-UHFFFAOYSA-N
Associated Targets(Human)
Endothelial lipase 1021 Activities
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: 470.47 | Molecular Weight (Monoisotopic): 470.0912 | AlogP: 5.54 | #Rotatable Bonds: 6 |
| Polar Surface Area: 79.29 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.03 | CX Basic pKa: 1.62 | CX LogP: 5.45 | CX LogD: 2.31 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.39 | Np Likeness Score: -1.61 |
References
| 1. (2015) Acetic acid amide derivative having inhibitory activity on endothelial lipase, |
Source
Source(1):