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Name | CHEMBL611626 |
---|---|
Molecular formula | C36H34O12S |
IUPAC name | 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-[4-[2-(4-methylsulfonylphenoxy)ethoxy]phenyl]-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one |
Molecular weight | 690.716 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | 2-{4-[4-(Benzo[1,3]dioxol-5-yl)-2-hydroxy-5-oxo-3-(3,4,5-trimethoxybenzyl)-2,5-dihydro-furan-2-yl]phenoxy}ethyl 4-methylbenzenesulfonate BDBM50304495 |
Inchi Key | HGWHELBDVRUNGP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H34O12S/c1-41-31-18-22(19-32(42-2)34(31)43-3)17-28-33(23-5-14-29-30(20-23)47-21-46-29)35(37)48-36(28,38)24-6-8-25(9-7-24)44-15-16-45-26-10-12-27(13-11-26)49(4,39)40/h5-14,18-20,38H,15-17,21H2,1-4H3 |
PubChem CID | 46228118 |
ChEMBL | CHEMBL611626 |
IUPHAR | N/A |
BindingDB | 50304495 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
114605 | Endothelin receptor type B | P48302 | Ednrb | Mus musculus (Mouse) | 442 |
114606 | Endothelin-1 receptor | Q61614 | Ednra | Mus musculus (Mouse) | 427 |
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