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Name | rofecoxib |
---|---|
Molecular formula | C17H14O4S |
IUPAC name | 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one |
Molecular weight | 314.355 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 2.3 |
Synonyms | KBio2_002345 4-(4-(Methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one KBioGR_002345 A810324 Merck brand of rofecoxib [ Show all ] |
Inchi Key | RZJQGNCSTQAWON-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
PubChem CID | 5090 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 22369 |
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 |
---|---|---|---|---|---|
308844 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
308835 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
308847 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
308851 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
308831 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
308840 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
308836 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
308845 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
308843 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
308838 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
308853 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
308842 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
308837 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
308830 | Cannabinoid receptor 2 | P34972 | CNR2 | Homo sapiens (Human) | 360 |
308854 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
308841 | D(1B) dopamine receptor | P21918 | DRD5 | Homo sapiens (Human) | 477 |
308834 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
308852 | Histamine H2 receptor | P25021 | HRH2 | Homo sapiens (Human) | 359 |
308839 | Histamine H3 receptor | Q9JI35 | HRH3 | Cavia porcellus (Guinea pig) | 445 |
308846 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
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