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Name | CHEMBL113379 |
---|---|
Molecular formula | C26H32N2O5 |
IUPAC name | (2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid |
Molecular weight | 452.551 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 1.0 |
Synonyms | BDBM50056074 (2R,3R,4S)-4-(2,3-Dihydro-benzofuran-6-yl)-2-(4-methoxy-phenyl)-1-[(methyl-propyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid |
Inchi Key | BHWBLIBWKKBWQB-SDUSCBPUSA-N |
Inchi ID | InChI=1S/C26H32N2O5/c1-4-12-27(2)23(29)16-28-15-21(19-6-5-17-11-13-33-22(17)14-19)24(26(30)31)25(28)18-7-9-20(32-3)10-8-18/h5-10,14,21,24-25H,4,11-13,15-16H2,1-3H3,(H,30,31)/t21-,24-,25+/m1/s1 |
PubChem CID | 10766067 |
ChEMBL | CHEMBL113379 |
IUPHAR | N/A |
BindingDB | 50056074 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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24153 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
24152 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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