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Name | CHEMBL61084 |
---|---|
Molecular formula | C36H36ClNO7 |
IUPAC name | bis(2-phenylethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 630.134 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 7.2 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid diphenethyl ester |
Inchi Key | FOOAGQZSUKCRQH-NJHZRGNWSA-N |
Inchi ID | InChI=1S/C36H36ClNO7/c1-25(38-24-31(39)29-13-8-14-30(37)23-29)21-28-15-16-32-33(22-28)45-36(44-32,34(40)42-19-17-26-9-4-2-5-10-26)35(41)43-20-18-27-11-6-3-7-12-27/h2-16,22-23,25,31,38-39H,17-21,24H2,1H3/t25-,31+/m1/s1 |
PubChem CID | 44300331 |
ChEMBL | CHEMBL61084 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
83445 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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