| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3699817
Max Phase: Preclinical
Molecular Formula: C20H26N2O3S
Molecular Weight: 374.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1
Standard InChI: InChI=1S/C20H26N2O3S/c1-16(21-26(2,23)24)18-10-8-17(9-11-18)14-22-12-13-25-20(15-22)19-6-4-3-5-7-19/h3-11,16,20-21H,12-15H2,1-2H3/t16-,20-/m1/s1
Standard InChI Key: KWZLOWWEGAEOPZ-OXQOHEQNSA-N
Associated Targets(Human)
2-acylglycerol O-acyltransferase 2 219 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: 374.51 | Molecular Weight (Monoisotopic): 374.1664 | AlogP: 2.87 | #Rotatable Bonds: 6 |
| Polar Surface Area: 58.64 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.55 | CX Basic pKa: 7.31 | CX LogP: 2.34 | CX LogD: 2.08 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.84 | Np Likeness Score: -1.37 |
References
| 1. (2015) Morpholinyl derivatives useful as MOGAT-2 inhibitors, |
Source
Source(1):