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Name | MLS-0435426.0001 |
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Molecular formula | C24H21N3O5S2 |
IUPAC name | 4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid |
Molecular weight | 495.568 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | 4-[[4-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid cid_4362054 ZINC2932483 AC1N9KAT MLS001028323 [ Show all ] |
Inchi Key | CKNCJMOHYJHECA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H21N3O5S2/c1-2-32-18-9-7-17(8-10-18)25-20(28)14-34-24-26-19-11-12-33-21(19)22(29)27(24)13-15-3-5-16(6-4-15)23(30)31/h3-12H,2,13-14H2,1H3,(H,25,28)(H,30,31) |
PubChem CID | 4362054 |
ChEMBL | CHEMBL1355774 |
IUPHAR | N/A |
BindingDB | 64816 |
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 |
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44268 | G-protein coupled receptor 35 | Q9HC97 | GPR35 | Homo sapiens (Human) | 309 |
44267 | G-protein coupled receptor 55 | Q9Y2T6 | GPR55 | Homo sapiens (Human) | 319 |
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