| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2441597
Max Phase: Preclinical
Molecular Formula: C27H23F6N3O4
Molecular Weight: 567.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C2=C(C(=O)Nc3ccno3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
Standard InChI: InChI=1S/C27H23F6N3O4/c1-16-3-5-17(6-4-16)20-15-25(27(31,32)33,36-24(38)22(20)23(37)35-21-11-13-34-40-21)18-7-9-19(10-8-18)39-14-2-12-26(28,29)30/h3-11,13H,2,12,14-15H2,1H3,(H,35,37)(H,36,38)/t25-/m0/s1
Standard InChI Key: FFDGBYCTZXREGP-VWLOTQADSA-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: 567.49 | Molecular Weight (Monoisotopic): 567.1593 | AlogP: 6.07 | #Rotatable Bonds: 8 |
| Polar Surface Area: 93.46 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 7.51 | CX Basic pKa: | CX LogP: 5.39 | CX LogD: 5.15 |
| Aromatic Rings: 3 | Heavy Atoms: 40 | QED Weighted: 0.20 | Np Likeness Score: -0.71 |
References
| 1. Abdel-Magid AF.. (2013) Fighting Obesity and Metabolic Disorders with MGAT-2 Inhibitors., 4 (10): [PMID:24900580] [10.1021/ml400272q] |
Source
Source(1):