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Name | CHEMBL2158345 |
---|---|
Molecular formula | C18H13N3O6S |
IUPAC name | [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-methyl-3-nitrobenzoate |
Molecular weight | 399.377 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 2.6 |
Synonyms | BDBM50393924 MLS003389521 SR-01000020409 AC1OHVTW MLS-0437362.0001 [ Show all ] |
Inchi Key | ADBWXKRHRFJRHX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H13N3O6S/c1-11-3-4-12(7-14(11)21(24)25)17(23)27-16-9-26-13(8-15(16)22)10-28-18-19-5-2-6-20-18/h2-9H,10H2,1H3 |
PubChem CID | 7217946 |
ChEMBL | CHEMBL2158345 |
IUPHAR | N/A |
BindingDB | 50393924 |
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 |
---|---|---|---|---|---|
2116 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
2117 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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