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Name | CHEMBL58625 |
---|---|
Molecular formula | C27H32ClNO7 |
IUPAC name | 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2-(cyclohexylmethoxycarbonyl)-1,3-benzodioxole-2-carboxylic acid |
Molecular weight | 518.003 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 3.1 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid 2-(cyclohexylmethyl) ester |
Inchi Key | KWYXSBDYNQNHBB-VZUMSWISSA-N |
Inchi ID | InChI=1S/C27H32ClNO7/c1-17(29-15-22(30)20-8-5-9-21(28)14-20)12-19-10-11-23-24(13-19)36-27(35-23,25(31)32)26(33)34-16-18-6-3-2-4-7-18/h5,8-11,13-14,17-18,22,29-30H,2-4,6-7,12,15-16H2,1H3,(H,31,32)/t17-,22+,27?/m1/s1 |
PubChem CID | 44300808 |
ChEMBL | CHEMBL58625 |
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 |
---|---|---|---|---|---|
180278 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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