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Name | CHEMBL64726 |
---|---|
Molecular formula | C27H24O7 |
IUPAC name | 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-6-propoxy-2H-chromene-3-carboxylic acid |
Molecular weight | 460.482 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | 2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-6-propoxy-2H-chromene-3-carboxylic acid BDBM50112741 |
Inchi Key | GMWGPFSQYORQOK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H24O7/c1-3-12-31-19-9-11-21-20(14-19)24(16-4-7-18(30-2)8-5-16)25(27(28)29)26(34-21)17-6-10-22-23(13-17)33-15-32-22/h4-11,13-14,26H,3,12,15H2,1-2H3,(H,28,29) |
PubChem CID | 11059576 |
ChEMBL | CHEMBL64726 |
IUPHAR | N/A |
BindingDB | 50112741 |
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 |
---|---|---|---|---|---|
100281 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
100280 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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