| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5203547
Max Phase: Preclinical
Molecular Formula: C24H26F3N3O6S
Molecular Weight: 541.55
Associated Items:
Representations
Canonical SMILES: CC(n1c(=O)n(-c2cc(OC(F)F)ccc2F)c2ccc(C(=O)NC3(C)CS(=O)(=O)C3)cc21)C(C)(C)O
Standard InChI: InChI=1S/C24H26F3N3O6S/c1-13(23(2,3)33)29-19-9-14(20(31)28-24(4)11-37(34,35)12-24)5-8-17(19)30(22(29)32)18-10-15(36-21(26)27)6-7-16(18)25/h5-10,13,21,33H,11-12H2,1-4H3,(H,28,31)
Standard InChI Key: FSPAFQBOWPGDDB-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: 541.55 | Molecular Weight (Monoisotopic): 541.1494 | AlogP: 2.78 | #Rotatable Bonds: 7 |
| Polar Surface Area: 119.63 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.30 | CX LogD: 2.30 |
| Aromatic Rings: 3 | Heavy Atoms: 37 | QED Weighted: 0.47 | Np Likeness Score: -1.20 |
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):