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Name | CHEMBL432710 |
---|---|
Molecular formula | C28H36ClNO7 |
IUPAC name | dibutyl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 534.046 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 5.8 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid dibutyl ester |
Inchi Key | AAEIZUDSMGMJJF-XXBNENTESA-N |
Inchi ID | InChI=1S/C28H36ClNO7/c1-4-6-13-34-26(32)28(27(33)35-14-7-5-2)36-24-12-11-20(16-25(24)37-28)15-19(3)30-18-23(31)21-9-8-10-22(29)17-21/h8-12,16-17,19,23,30-31H,4-7,13-15,18H2,1-3H3/t19-,23+/m1/s1 |
PubChem CID | 44300348 |
ChEMBL | CHEMBL432710 |
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 |
---|---|---|---|---|---|
138 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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