Molecule Details
| InChIKey | SGIWFELWJPNFDH-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(2,2,2-Trifluoroethyl)-N-(4-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)phenyl)-benzenesulfonamide |
| Canonical SMILES | O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07080 |
|---|---|
| Drug Name | TO-901317 |
| CAS Number | 293754-55-9 |
| Groups | experimental |
| ATC Codes | nan |
| Description | TO-901317 is an LXRalpha and LXRbeta agonist. |
Categories: Amides Benzene Derivatives Hydrocarbons, Fluorinated Hydrocarbons, Halogenated Sulfonamides Sulfones Sulfur Compounds
Cross-references: BindingDB: 19993 CHEMBL62136 ChemSpider: 394870 Guide to Pharmacology: 2755 IUPHAR: 2755 C15630 PDB: 444 PubChem:447912 PubChem:99443551 ZINC: ZINC000001550221
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P55055 | NR1H2 | Homo sapiens | Human | PF00104 PF00105 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q13133 | NR1H3 | Homo sapiens | Human | PF00104 PF00105 | 7.9 | IC50 | ChEMBL;BindingDB |
| O75469 | NR1I2 | Homo sapiens | Human | PF00104 PF00105 | 7.4 | IC50 | ChEMBL;BindingDB |
| P19793 | RXRA | Homo sapiens | Human | PF00104 PF11825 PF00105 | 7.1 | Ki | ChEMBL |
| P35398 | RORA | Homo sapiens | Human | PF00104 PF00105 | 6.9 | Ki | ChEMBL;BindingDB |
| P51449 | RORC | Homo sapiens | Human | PF00104 PF00105 | 6.6 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O75469 | NR1I2 | Nuclear receptor subfamily 1 group I member 2 | binder | targets |
| P28702 | RXRB | Retinoic acid receptor RXR-beta | binder | targets |
| P55055 | NR1H2 | Oxysterols receptor LXR-beta | binder | targets |
| Q13133 | NR1H3 | Oxysterols receptor LXR-alpha | binder | targets |
| Q15596 | NCOA2 | Nuclear receptor coactivator 2 | binder | targets |
| Q15788 | NCOA1 | Nuclear receptor coactivator 1 | binder | targets |