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Name | CHEMBL155708 |
---|---|
Molecular formula | C29H26N2O8S |
IUPAC name | 4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-7-[methyl(methylsulfonyl)amino]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid |
Molecular weight | 562.593 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | 7-(Methanesulfonyl-methyl-amino)-1-(2-methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,2-dihydro-benzo[4,5]furo[3,2-b]pyridine-3-carboxylic acid 1-(2-Methoxybenzyl)-2-oxo-4-(4-methoxyphenyl)-7-[methyl(methylsulfonyl)amino]-1,2-dihydrobenzofuro[3,2-b]pyridine-3-carboxylic acid BDBM50075429 |
Inchi Key | BUEBWCGIXCYPOZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H26N2O8S/c1-30(40(4,35)36)19-11-14-21-23(15-19)39-27-24(17-9-12-20(37-2)13-10-17)25(29(33)34)28(32)31(26(21)27)16-18-7-5-6-8-22(18)38-3/h5-15H,16H2,1-4H3,(H,33,34) |
PubChem CID | 44371773 |
ChEMBL | CHEMBL155708 |
IUPHAR | N/A |
BindingDB | 50075429 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
32950 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
32949 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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