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Name | CHEMBL275701 |
---|---|
Molecular formula | C28H26O9 |
IUPAC name | 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]furan-2-one |
Molecular weight | 506.507 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | SCHEMBL8035297 3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phenyl)-4-(2,4,5-trimethoxy-benzyl)-5H-furan-2-one BDBM50057167 |
Inchi Key | ARCCNAPMMHWOCU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-17-13-23(33-3)24(34-4)14-22(17)32-2)26(27(29)37-28)16-5-10-21-25(12-16)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3 |
PubChem CID | 10601668 |
ChEMBL | CHEMBL275701 |
IUPHAR | N/A |
BindingDB | 50057167 |
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 |
---|---|---|---|---|---|
12288 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
12289 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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