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Name | CHEMBL57448 |
---|---|
Molecular formula | C36H36ClNO9 |
IUPAC name | bis[(4-methoxyphenyl)methyl] 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 662.132 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 6.3 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(4-methoxybenzyl) ester |
Inchi Key | JQHNDVOWHLAYCA-IPBJYNAHSA-N |
Inchi ID | InChI=1S/C36H36ClNO9/c1-23(38-20-31(39)27-5-4-6-28(37)19-27)17-26-11-16-32-33(18-26)47-36(46-32,34(40)44-21-24-7-12-29(42-2)13-8-24)35(41)45-22-25-9-14-30(43-3)15-10-25/h4-16,18-19,23,31,38-39H,17,20-22H2,1-3H3/t23-,31+/m1/s1 |
PubChem CID | 44300561 |
ChEMBL | CHEMBL57448 |
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 |
---|---|---|---|---|---|
157268 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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