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Name | 5-[4-[4-[[(2R)-2-Hydroxy-2-[3-(methylsulfonylamino)phenyl]ethyl]amino]piperidino]benzyl]-2,4-thiazolidinedione |
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Molecular formula | C24H30N4O5S2 |
IUPAC name | N-[3-[(1R)-2-[[1-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]piperidin-4-yl]amino]-1-hydroxyethyl]phenyl]methanesulfonamide |
Molecular weight | 518.647 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 2.1 |
Synonyms | N/A |
Inchi Key | BFGUKMAGBVXKJK-HMTLIYDFSA-N |
Inchi ID | InChI=1S/C24H30N4O5S2/c1-35(32,33)27-19-4-2-3-17(14-19)21(29)15-25-18-9-11-28(12-10-18)20-7-5-16(6-8-20)13-22-23(30)26-24(31)34-22/h2-8,14,18,21-22,25,27,29H,9-13,15H2,1H3,(H,26,30,31)/t21-,22?/m0/s1 |
PubChem CID | 44377820 |
ChEMBL | CHEMBL164065 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
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22293 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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