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Name | CHEMBL381372 |
---|---|
Molecular formula | C28H36F3N3O4S |
IUPAC name | N-[(1R)-6-[(2-methoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetamide |
Molecular weight | 567.668 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 3.6 |
Synonyms | BDBM50182220 N-((R)-6-((2-methoxyethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide SCHEMBL5391079 |
Inchi Key | AUQFXZSCVAWPIC-JYFHCDHNSA-N |
Inchi ID | InChI=1S/C28H36F3N3O4S/c1-38-15-13-32-19-20-11-12-25-21(16-20)6-4-10-26(25)33-27(35)18-23-8-2-3-14-34(23)39(36,37)24-9-5-7-22(17-24)28(29,30)31/h5,7,9,11-12,16-17,23,26,32H,2-4,6,8,10,13-15,18-19H2,1H3,(H,33,35)/t23-,26+/m0/s1 |
PubChem CID | 11478613 |
ChEMBL | CHEMBL381372 |
IUPHAR | N/A |
BindingDB | 50182220 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
14884 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
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