| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3699451
Max Phase: Preclinical
Molecular Formula: C20H15N3O3S2
Molecular Weight: 409.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Cc1nc2ccc(-c3ccccc3)cc2s1)NCc1nc(C(=O)O)cs1
Standard InChI: InChI=1S/C20H15N3O3S2/c24-17(21-10-19-23-15(11-27-19)20(25)26)9-18-22-14-7-6-13(8-16(14)28-18)12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,21,24)(H,25,26)
Standard InChI Key: IVHJPNNRBKTOIL-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: 409.49 | Molecular Weight (Monoisotopic): 409.0555 | AlogP: 3.98 | #Rotatable Bonds: 6 |
| Polar Surface Area: 92.18 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.19 | CX Basic pKa: 1.69 | CX LogP: 3.49 | CX LogD: 0.24 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.50 | Np Likeness Score: -1.70 |
References
| 1. (2015) Acetic acid amide derivative having inhibitory activity on endothelial lipase, |
Source
Source(1):