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Name | CHEMBL58633 |
---|---|
Molecular formula | C24H28ClNO7 |
IUPAC name | diethyl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 477.938 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid diethyl ester |
Inchi Key | JYHIJPMNTUZEAY-BEFAXECRSA-N |
Inchi ID | InChI=1S/C24H28ClNO7/c1-4-30-22(28)24(23(29)31-5-2)32-20-10-9-16(12-21(20)33-24)11-15(3)26-14-19(27)17-7-6-8-18(25)13-17/h6-10,12-13,15,19,26-27H,4-5,11,14H2,1-3H3/t15-,19+/m1/s1 |
PubChem CID | 15223306 |
ChEMBL | CHEMBL58633 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
163021 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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