| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3699448
Max Phase: Preclinical
Molecular Formula: C25H23N3O2S
Molecular Weight: 429.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)c1cccc(CNC(=O)Cc2nc3ccc(-c4ccccc4)cc3s2)c1
Standard InChI: InChI=1S/C25H23N3O2S/c1-28(2)25(30)20-10-6-7-17(13-20)16-26-23(29)15-24-27-21-12-11-19(14-22(21)31-24)18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,26,29)
Standard InChI Key: VNRZOXHKJSIGMP-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: 429.55 | Molecular Weight (Monoisotopic): 429.1511 | AlogP: 4.52 | #Rotatable Bonds: 6 |
| Polar Surface Area: 62.30 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.71 | CX LogP: 4.22 | CX LogD: 4.22 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.49 | Np Likeness Score: -1.83 |
References
| 1. (2015) Acetic acid amide derivative having inhibitory activity on endothelial lipase, |
Source
Source(1):