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Name | CHEMBL112502 |
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Molecular formula | C25H27N5O5S2 |
IUPAC name | 4-tert-butyl-N-[5-(furan-2-yl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide |
Molecular weight | 541.641 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | BDBM50104994 SCHEMBL7489110 4-tert-Butyl-N-{5-furan-2-yl-6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide |
Inchi Key | BLWJVNAITNJJCT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H27N5O5S2/c1-25(2,3)17-7-9-19(10-8-17)37(31,32)30-22-21(20-6-5-11-33-20)23(29-16-28-22)34-12-13-35-24-26-14-18(36-4)15-27-24/h5-11,14-16H,12-13H2,1-4H3,(H,28,29,30) |
PubChem CID | 10875239 |
ChEMBL | CHEMBL112502 |
IUPHAR | N/A |
BindingDB | 50104994 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
27055 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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