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Name | CHEMBL63121 |
---|---|
Molecular formula | C21H20O7 |
IUPAC name | (2R)-2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid |
Molecular weight | 384.384 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | (2R)-2-(1,3-Benzodioxole-5-yl)-4-methoxy-6-isopropoxy-3-chromene-3-carboxylic acid BDBM50112702 2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-methoxy-2H-chromene-3-carboxylic acid |
Inchi Key | FWZUEGTXKCZRSX-LJQANCHMSA-N |
Inchi ID | InChI=1S/C21H20O7/c1-11(2)27-13-5-7-15-14(9-13)20(24-3)18(21(22)23)19(28-15)12-4-6-16-17(8-12)26-10-25-16/h4-9,11,19H,10H2,1-3H3,(H,22,23)/t19-/m1/s1 |
PubChem CID | 9807178 |
ChEMBL | CHEMBL63121 |
IUPHAR | N/A |
BindingDB | 50112702 |
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 |
---|---|---|---|---|---|
89349 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
89350 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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