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Name | CHEMBL57240 |
---|---|
Molecular formula | C32H40ClNO11 |
IUPAC name | bis(2,2-dimethylpropanoyloxymethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 650.118 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 6.1 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2,2-dimethylpropanoyloxymethyl) ester |
Inchi Key | BHRFUBDYFWJCEF-XXBNENTESA-N |
Inchi ID | InChI=1S/C32H40ClNO11/c1-19(34-16-23(35)21-9-8-10-22(33)15-21)13-20-11-12-24-25(14-20)45-32(44-24,28(38)42-17-40-26(36)30(2,3)4)29(39)43-18-41-27(37)31(5,6)7/h8-12,14-15,19,23,34-35H,13,16-18H2,1-7H3/t19-,23+/m1/s1 |
PubChem CID | 44300319 |
ChEMBL | CHEMBL57240 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
23992 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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