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Name | TMQ, 5,8-Difluoro |
---|---|
Molecular formula | C19H21F2NO5 |
IUPAC name | 5,8-difluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
Molecular weight | 381.376 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 2.7 |
Synonyms | PDSP1_000593 PDSP2_000590 CHEMBL358648 BDBM82498 |
Inchi Key | JSUCHNUEMCJTOS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H21F2NO5/c1-25-12-7-9(8-13(26-2)19(12)27-3)6-11-14-10(4-5-22-11)15(20)17(23)18(24)16(14)21/h7-8,11,22-24H,4-6H2,1-3H3 |
PubChem CID | 10339796 |
ChEMBL | CHEMBL358648 |
IUPHAR | N/A |
BindingDB | 82498 |
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 |
---|---|---|---|---|---|
159080 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
159079 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
556083 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
159077 | Thromboxane A2 receptor | P34978 | Tbxa2r | Rattus norvegicus (Rat) | 341 |
159078 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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