| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5179522
Max Phase: Preclinical
Molecular Formula: C26H30F3N3O6S
Molecular Weight: 569.60
Associated Items:
Representations
Canonical SMILES: CC(n1c(=O)n(-c2cc(OC(F)F)ccc2F)c2ccc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc21)C(C)(C)O
Standard InChI: InChI=1S/C26H30F3N3O6S/c1-15(25(2,3)35)31-21-13-16(22(33)30-26(4)9-11-39(36,37)12-10-26)5-8-19(21)32(24(31)34)20-14-17(38-23(28)29)6-7-18(20)27/h5-8,13-15,23,35H,9-12H2,1-4H3,(H,30,33)
Standard InChI Key: BKAVSBRSWFSSQI-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: 569.60 | Molecular Weight (Monoisotopic): 569.1807 | AlogP: 3.56 | #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: 2.42 | CX LogD: 2.42 |
| Aromatic Rings: 3 | Heavy Atoms: 39 | QED Weighted: 0.45 | Np Likeness Score: -1.22 |
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):