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Name | CHEMBL175057 |
---|---|
Molecular formula | C28H25N9O5S |
IUPAC name | N-[5-(2-methoxyphenoxy)-6-prop-2-ynoxy-2-[2-(2H-tetrazol-5-yl)pyridin-4-yl]pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide |
Molecular weight | 599.626 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | SCHEMBL7962811 5-Isopropyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-2-[2-(1H-tetrazol-5-yl)-pyridin-4-yl]-pyrimidin-4-yl}-amide BDBM50124476 |
Inchi Key | BEGQGXHBEYDHFL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H25N9O5S/c1-5-14-41-28-24(42-22-9-7-6-8-21(22)40-4)27(35-43(38,39)23-11-10-19(16-30-23)17(2)3)31-25(32-28)18-12-13-29-20(15-18)26-33-36-37-34-26/h1,6-13,15-17H,14H2,2-4H3,(H,31,32,35)(H,33,34,36,37) |
PubChem CID | 10282163 |
ChEMBL | CHEMBL175057 |
IUPHAR | N/A |
BindingDB | 50124476 |
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 |
---|---|---|---|---|---|
21536 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
21535 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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