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Name | NBI-42902 |
---|---|
Molecular formula | C27H24F3N3O3 |
IUPAC name | 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione |
Molecular weight | 495.502 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.8 |
Synonyms | 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione CHEMBL179691 NBI42902 3FWQ4MD98O GTPL1178 [ Show all ] |
Inchi Key | CJUWBZDJMYYRDG-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1 |
PubChem CID | 11167850 |
ChEMBL | CHEMBL179691 |
IUPHAR | 1178, 1187 |
BindingDB | 50162007 |
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 |
---|---|---|---|---|---|
43714 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
43715 | Gonadotropin-releasing hormone receptor | Q8SPZ1 | GNRHR | Macaca mulatta (Rhesus macaque) | 59 |
43716 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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