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Name | CHEMBL331577 |
---|---|
Molecular formula | C25H32N2O5 |
IUPAC name | (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid |
Molecular weight | 440.54 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 0.9 |
Synonyms | BDBM50056073 (2R,3R,4S)-2,4-Bis-(4-methoxy-phenyl)-1-[(methyl-propyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid |
Inchi Key | BVNZXNOMGWQSDJ-JRFVFWCSSA-N |
Inchi ID | InChI=1S/C25H32N2O5/c1-5-14-26(2)22(28)16-27-15-21(17-6-10-19(31-3)11-7-17)23(25(29)30)24(27)18-8-12-20(32-4)13-9-18/h6-13,21,23-24H,5,14-16H2,1-4H3,(H,29,30)/t21-,23-,24+/m1/s1 |
PubChem CID | 10813007 |
ChEMBL | CHEMBL331577 |
IUPHAR | N/A |
BindingDB | 50056073 |
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 |
---|---|---|---|---|---|
33906 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
33905 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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