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Name | CHEMBL2158355 |
---|---|
Molecular formula | C21H20N2O5S |
IUPAC name | [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-butoxybenzoate |
Molecular weight | 412.46 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 3.6 |
Synonyms | AKOS024654717 SR-01000020333 [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-butoxybenzoate 877635-62-6 MLS-0437355.0001 [ Show all ] |
Inchi Key | BUGHHCRBEJONTG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H20N2O5S/c1-2-3-11-26-16-7-5-15(6-8-16)20(25)28-19-13-27-17(12-18(19)24)14-29-21-22-9-4-10-23-21/h4-10,12-13H,2-3,11,14H2,1H3 |
PubChem CID | 7217891 |
ChEMBL | CHEMBL2158355 |
IUPHAR | N/A |
BindingDB | 50393914 |
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 |
---|---|---|---|---|---|
33000 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
33001 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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