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Name | CHEMBL345396 |
---|---|
Molecular formula | C31H42N2O6S |
IUPAC name | (Z)-6-[(1R,2S,5S)-2-(azepan-1-yl)-5-[[4-[2-(methanesulfonamido)phenyl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid |
Molecular weight | 570.745 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 1.9 |
Synonyms | BDBM50391293 SCHEMBL9775086 |
Inchi Key | JUERAJFRTWKSMU-SJQDTAOZSA-N |
Inchi ID | InChI=1S/C31H42N2O6S/c1-40(36,37)32-27-12-7-6-11-26(27)25-16-14-24(15-17-25)23-39-29-19-18-28(33-20-8-2-3-9-21-33)31(29)38-22-10-4-5-13-30(34)35/h4,6-7,10-12,14-17,28-29,31-32H,2-3,5,8-9,13,18-23H2,1H3,(H,34,35)/b10-4-/t28-,29-,31+/m0/s1 |
PubChem CID | 44374579 |
ChEMBL | CHEMBL345396 |
IUPHAR | N/A |
BindingDB | 50391293 |
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 |
---|---|---|---|---|---|
160075 | Thromboxane A2 receptor | P34978 | Tbxa2r | Rattus norvegicus (Rat) | 341 |
160076 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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