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Name | CHEMBL189694 |
---|---|
Molecular formula | C28H28O5S |
IUPAC name | 2-[[3-[2-(1,1-diphenylpropylsulfanyl)ethyl]-2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]acetic acid |
Molecular weight | 476.587 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.9 |
Synonyms | BDBM50171479 {3-[2-(1,1-Diphenyl-propylsulfanyl)-ethyl]-2-hydroxymethyl-benzofuran-7-yloxy}-acetic acid |
Inchi Key | ANAJKRIABHPZSH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H28O5S/c1-2-28(20-10-5-3-6-11-20,21-12-7-4-8-13-21)34-17-16-22-23-14-9-15-24(32-19-26(30)31)27(23)33-25(22)18-29/h3-15,29H,2,16-19H2,1H3,(H,30,31) |
PubChem CID | 11260506 |
ChEMBL | CHEMBL189694 |
IUPHAR | N/A |
BindingDB | 50171479 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
9392 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
9393 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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