| CAS ID: | 169679-53-2 |
| Molecular Formula: | C27H28BrN5O5S |
| Molecular Weight: | 614.5 g/mol |
| Monoisotopic Mass: | 613.0995 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C27H28BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3,(H,31,32,33) | See All |
| InChI Key: | YAWNVAQKVARTGQ-UHFFFAOYSA-N | |
| Smiles: | Cc1ccc(cc1)c2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)CO)ncnc2OCCOc4ncc(Br)cn4 | See All |
| Molfile: | Download |
| Target ID | Name | Interaction |
|---|---|---|
| T0123 | Endothelin-1 receptor | antagonist |
Reference Record 1
| PubChem: | 9852318 |
| ChEMBL: | CHEMBL112624 |