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Name | CHEMBL61019 |
---|---|
Molecular formula | C26H32ClNO8 |
IUPAC name | 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethoxycarbonyl]-1,3-benzodioxole-2-carboxylic acid |
Molecular weight | 521.991 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 1.6 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-2-(2-tert-butoxyethoxycarbonyl)-1,3-benzodioxole-2-carboxylic acid |
Inchi Key | DUSWVRCIPDUGDK-LWHCCJILSA-N |
Inchi ID | InChI=1S/C26H32ClNO8/c1-16(28-15-20(29)18-6-5-7-19(27)14-18)12-17-8-9-21-22(13-17)36-26(35-21,23(30)31)24(32)33-10-11-34-25(2,3)4/h5-9,13-14,16,20,28-29H,10-12,15H2,1-4H3,(H,30,31)/t16-,20+,26?/m1/s1 |
PubChem CID | 44300370 |
ChEMBL | CHEMBL61019 |
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 |
---|---|---|---|---|---|
69388 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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