| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5184213
Max Phase: Preclinical
Molecular Formula: C25H20F3N3O5S
Molecular Weight: 531.51
Associated Items:
Representations
Canonical SMILES: CC1(NC(=O)c2ccc3c(c2)n(-c2ccc(F)cc2)c(=O)n3-c2cccc(OC(F)F)c2)CS(=O)(=O)C1
Standard InChI: InChI=1S/C25H20F3N3O5S/c1-25(13-37(34,35)14-25)29-22(32)15-5-10-20-21(11-15)30(17-8-6-16(26)7-9-17)24(33)31(20)18-3-2-4-19(12-18)36-23(27)28/h2-12,23H,13-14H2,1H3,(H,29,32)
Standard InChI Key: FLODPHAEVZFMME-UHFFFAOYSA-N
Associated Targets(Human)
Diacylglycerol O-acyltransferase 2 347 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 531.51 | Molecular Weight (Monoisotopic): 531.1076 | AlogP: 3.44 | #Rotatable Bonds: 6 |
| Polar Surface Area: 99.40 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.54 | CX LogD: 3.54 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.41 | Np Likeness Score: -1.65 |
References
| 1. Sabnis RW.. (2022) Benzimidazolone Derivatives as DGAT2 Inhibitors for Treating Diseases., 13 (7.0): [PMID:35928852] [10.1021/acsmedchemlett.2c00247] |
Source
Source(1):