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Name | CHEMBL332922 |
---|---|
Molecular formula | C29H33N5O4S2 |
IUPAC name | 4-tert-butyl-N-[5-(4-ethylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide |
Molecular weight | 579.734 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 6.3 |
Synonyms | BDBM50104986 N-[5-(4-Ethylphenyl)-6-[2-[5-(methylthio)-2-pyrimidinyloxy]ethoxy]-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide 4-tert-Butyl-N-{5-(4-ethyl-phenyl)-6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide |
Inchi Key | DMGFBAJASZHOPO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H33N5O4S2/c1-6-20-7-9-21(10-8-20)25-26(34-40(35,36)24-13-11-22(12-14-24)29(2,3)4)32-19-33-27(25)37-15-16-38-28-30-17-23(39-5)18-31-28/h7-14,17-19H,6,15-16H2,1-5H3,(H,32,33,34) |
PubChem CID | 11017304 |
ChEMBL | CHEMBL332922 |
IUPHAR | N/A |
BindingDB | 50104986 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
63673 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417