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Name | CHEMBL10911 |
---|---|
Molecular formula | C25H20O5S |
IUPAC name | 3-(1,3-benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-(4-methylsulfanylphenyl)furan-2-one |
Molecular weight | 432.49 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | BDBM50057151 SCHEMBL8033420 3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-methylsulfanyl-phenyl)-5H-furan-2-one |
Inchi Key | BPTJMXBDLHQLJL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H20O5S/c1-31-19-10-8-18(9-11-19)25(27)20(13-16-5-3-2-4-6-16)23(24(26)30-25)17-7-12-21-22(14-17)29-15-28-21/h2-12,14,27H,13,15H2,1H3 |
PubChem CID | 10622616 |
ChEMBL | CHEMBL10911 |
IUPHAR | N/A |
BindingDB | 50057151 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
29890 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
29891 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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