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Name | CHEMBL450471 |
---|---|
Molecular formula | C30H26ClF4N3O4 |
IUPAC name | 4-[[(1R)-2-[5-(2-chlorophenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid |
Molecular weight | 603.999 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | BDBM50260762 SCHEMBL1378898 (R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5-(2-chlorophenyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethylamino)butanoic acid |
Inchi Key | WXJLFSUTNCMCGA-SANMLTNESA-N |
Inchi ID | InChI=1S/C30H26ClF4N3O4/c31-24-12-5-4-10-20(24)21-16-37(17-22-23(30(33,34)35)11-6-13-25(22)32)29(42)38(28(21)41)18-26(19-8-2-1-3-9-19)36-15-7-14-27(39)40/h1-6,8-13,16,26,36H,7,14-15,17-18H2,(H,39,40)/t26-/m0/s1 |
PubChem CID | 11467552 |
ChEMBL | CHEMBL450471 |
IUPHAR | N/A |
BindingDB | 50260762 |
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 |
---|---|---|---|---|---|
384702 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
384703 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
384704 | Gonadotropin-releasing hormone receptor | Q8SPZ1 | GNRHR | Macaca mulatta (Rhesus macaque) | 59 |
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