| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3699814
Max Phase: Preclinical
Molecular Formula: C20H22ClF3N2O3S
Molecular Weight: 462.92
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)N[C@@H](c1ccc(CN2CCOC(c3ccccc3Cl)C2)cc1)C(F)(F)F
Standard InChI: InChI=1S/C20H22ClF3N2O3S/c1-30(27,28)25-19(20(22,23)24)15-8-6-14(7-9-15)12-26-10-11-29-18(13-26)16-4-2-3-5-17(16)21/h2-9,18-19,25H,10-13H2,1H3/t18?,19-/m0/s1
Standard InChI Key: IZSIOYYUIHWQLI-GGYWPGCISA-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: 462.92 | Molecular Weight (Monoisotopic): 462.0992 | AlogP: 4.07 | #Rotatable Bonds: 6 |
| Polar Surface Area: 58.64 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.74 | CX Basic pKa: 6.54 | CX LogP: 2.70 | CX LogD: 2.65 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.70 | Np Likeness Score: -1.48 |
References
| 1. (2015) Morpholinyl derivatives useful as MOGAT-2 inhibitors, |
Source
Source(1):