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Name | CHEMBL175523 |
---|---|
Molecular formula | C29H33N5O6S2 |
IUPAC name | 4-tert-butyl-N-[5-(3,4-dimethoxyphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide |
Molecular weight | 611.732 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 1 |
XlogP | 5.4 |
Synonyms | Acetic acid ethyl ester4-tert-Butyl-N-{5-(3,4-dimethoxy-phenyl)-6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide 4-tert-butyl-N-{5-(3,4-dimethoxyphenyl)-6-[2-(5-methylthiopyrimidin-2-yloxy)ethoxy]-pyrimidin-4-yl}benzenesulfonamide SCHEMBL8656702 BDBM50105047 HLTLKXRFUHPDRK-UHFFFAOYSA-N [ Show all ] |
Inchi Key | HLTLKXRFUHPDRK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H33N5O6S2/c1-29(2,3)20-8-10-22(11-9-20)42(35,36)34-26-25(19-7-12-23(37-4)24(15-19)38-5)27(33-18-32-26)39-13-14-40-28-30-16-21(41-6)17-31-28/h7-12,15-18H,13-14H2,1-6H3,(H,32,33,34) |
PubChem CID | 11767252 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50105047 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
118219 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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