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Name | CHEMBL329114 |
---|---|
Molecular formula | C22H25F3N2OS |
IUPAC name | 1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]ethanone |
Molecular weight | 422.51 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.4 |
Synonyms | BDBM50007167 SCHEMBL9206859 1-(4-Piperidin-1-ylmethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-trifluoromethyl-phenyl)-ethanone;C4H6O6 |
Inchi Key | AWRJQLFBUIUNHN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H25F3N2OS/c23-22(24,25)17-6-4-16(5-7-17)14-21(28)27-12-8-20-18(9-13-29-20)19(27)15-26-10-2-1-3-11-26/h4-7,9,13,19H,1-3,8,10-12,14-15H2 |
PubChem CID | 15697378 |
ChEMBL | CHEMBL329114 |
IUPHAR | N/A |
BindingDB | 50007167 |
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 |
---|---|---|---|---|---|
16290 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
16289 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
16288 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
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