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Name | CHEMBL161532 |
---|---|
Molecular formula | C31H42N2O5 |
IUPAC name | (Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-[4-(2-hydroxyethyl)pyridin-3-yl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid |
Molecular weight | 522.686 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 1.5 |
Synonyms | BDBM50391306 |
Inchi Key | BGPOBSBSTJWARV-HVYQDUJKSA-N |
Inchi ID | InChI=1S/C31H42N2O5/c34-20-16-26-15-17-32-22-27(26)25-11-9-24(10-12-25)23-38-29-14-13-28(33-18-5-1-2-6-19-33)31(29)37-21-7-3-4-8-30(35)36/h3,7,9-12,15,17,22,28-29,31,34H,1-2,4-6,8,13-14,16,18-21,23H2,(H,35,36)/b7-3-/t28-,29+,31+/m0/s1 |
PubChem CID | 15024094 |
ChEMBL | CHEMBL161532 |
IUPHAR | N/A |
BindingDB | 50391306 |
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 |
---|---|---|---|---|---|
23281 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
23282 | Thromboxane A2 receptor | P34978 | Tbxa2r | Rattus norvegicus (Rat) | 341 |
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