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Name | CHEMBL159517 |
---|---|
Molecular formula | C32H44N2O4 |
IUPAC name | (Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-(4-propylpyridin-3-yl)phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid |
Molecular weight | 520.714 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | BDBM50391309 GR-83783 |
Inchi Key | BBQILAZFNVDEMU-PBIJAFQOSA-N |
Inchi ID | InChI=1S/C32H44N2O4/c1-2-10-26-18-19-33-23-28(26)27-14-12-25(13-15-27)24-38-30-17-16-29(34-20-7-3-4-8-21-34)32(30)37-22-9-5-6-11-31(35)36/h5,9,12-15,18-19,23,29-30,32H,2-4,6-8,10-11,16-17,20-22,24H2,1H3,(H,35,36)/b9-5-/t29-,30+,32+/m0/s1 |
PubChem CID | 15024088 |
ChEMBL | CHEMBL159517 |
IUPHAR | N/A |
BindingDB | 50391309 |
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 |
---|---|---|---|---|---|
19747 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
19748 | Thromboxane A2 receptor | P34978 | Tbxa2r | Rattus norvegicus (Rat) | 341 |
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