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Name | Oprea1_480237 |
---|---|
Molecular formula | C18H16N2O5S |
IUPAC name | methyl 3-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]thiophene-2-carboxylate |
Molecular weight | 372.395 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.3 |
Synonyms | SR-01000356749 methyl 3-{[(1-ethyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)carbonyl]amino}-2-thiophenecarboxylate ZINC100730298 3-[(1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-amino]-thiophene-2-carboxylic acid methyl ester MolPort-001-731-949 [ Show all ] |
Inchi Key | AHXUSNGOCGBQSJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H16N2O5S/c1-3-20-12-7-5-4-6-10(12)14(21)13(17(20)23)16(22)19-11-8-9-26-15(11)18(24)25-2/h4-9,21H,3H2,1-2H3,(H,19,22) |
PubChem CID | 54702957 |
ChEMBL | CHEMBL1505276 |
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 |
---|---|---|---|---|---|
5965 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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