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Name | CHEMBL56512 |
---|---|
Molecular formula | C26H32ClNO7 |
IUPAC name | 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2-hexoxycarbonyl-1,3-benzodioxole-2-carboxylic acid |
Molecular weight | 505.992 |
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-hexyl ester |
Inchi Key | HAWPZKATMRQEKU-CBBDYGADSA-N |
Inchi ID | InChI=1S/C26H32ClNO7/c1-3-4-5-6-12-33-25(32)26(24(30)31)34-22-11-10-18(14-23(22)35-26)13-17(2)28-16-21(29)19-8-7-9-20(27)15-19/h7-11,14-15,17,21,28-29H,3-6,12-13,16H2,1-2H3,(H,30,31)/t17-,21+,26?/m1/s1 |
PubChem CID | 44300557 |
ChEMBL | CHEMBL56512 |
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 |
---|---|---|---|---|---|
110212 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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