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Name | CHEMBL502182 |
---|---|
Molecular formula | C32H29F5N3O5- |
IUPAC name | 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate |
Molecular weight | 630.592 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | BDBM50274930 (R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyric Acid Sodium Salt |
Inchi Key | HEAUOKZIVMZVQL-VWLOTQADSA-M |
Inchi ID | InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/p-1/t25-/m0/s1 |
PubChem CID | 91934928 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50274930 |
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 |
---|---|---|---|---|---|
112537 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
112538 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
460236 | Gonadotropin-releasing hormone receptor | Q8SPZ1 | GNRHR | Macaca mulatta (Rhesus macaque) | 59 |
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