| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3699815
Max Phase: Preclinical
Molecular Formula: C21H25F3N2O3S
Molecular Weight: 442.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCOC(c3cccc(C(F)(F)F)c3)C2)cc1
Standard InChI: InChI=1S/C21H25F3N2O3S/c1-15(25-30(2,27)28)17-8-6-16(7-9-17)13-26-10-11-29-20(14-26)18-4-3-5-19(12-18)21(22,23)24/h3-9,12,15,20,25H,10-11,13-14H2,1-2H3/t15-,20?/m1/s1
Standard InChI Key: NEAUYJPQWOBRQT-IWPPFLRJSA-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: 442.50 | Molecular Weight (Monoisotopic): 442.1538 | AlogP: 3.89 | #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: 7.04 | CX LogP: 3.21 | CX LogD: 3.06 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.74 | Np Likeness Score: -1.61 |
References
| 1. (2015) Morpholinyl derivatives useful as MOGAT-2 inhibitors, |
Source
Source(1):