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Name | CHEMBL57287 |
---|---|
Molecular formula | C30H36ClNO11 |
IUPAC name | bis(2-methylpropanoyloxymethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 622.064 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-methylpropanoyloxymethyl) ester |
Inchi Key | AFCDGVLMKXJDBY-XXBNENTESA-N |
Inchi ID | InChI=1S/C30H36ClNO11/c1-17(2)26(34)38-15-40-28(36)30(29(37)41-16-39-27(35)18(3)4)42-24-10-9-20(12-25(24)43-30)11-19(5)32-14-23(33)21-7-6-8-22(31)13-21/h6-10,12-13,17-19,23,32-33H,11,14-16H2,1-5H3/t19-,23+/m1/s1 |
PubChem CID | 44300320 |
ChEMBL | CHEMBL57287 |
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 |
---|---|---|---|---|---|
4031 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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