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Name | SMR000102878 |
---|---|
Molecular formula | C18H17ClN2O5S |
IUPAC name | methyl 4-(2-chlorophenyl)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate |
Molecular weight | 408.853 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | AB00080404-01 ethyl 2-[4-(2-chlorophenyl)-3-cyano-5-(methoxycarbonyl)-6-oxo-2-1,4,5-trihydro pyridylthio]acetate MLS002539699 ST50005475 AKOS005574915 [ Show all ] |
Inchi Key | AANFFBFJGDXJBT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H17ClN2O5S/c1-3-26-13(22)9-27-17-11(8-20)14(10-6-4-5-7-12(10)19)15(16(23)21-17)18(24)25-2/h4-7,14-15H,3,9H2,1-2H3,(H,21,23) |
PubChem CID | 2841174 |
ChEMBL | CHEMBL1735683 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
463002 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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