You can:
Name | CHEMBL58635 |
---|---|
Molecular formula | C26H28ClNO11 |
IUPAC name | bis(acetyloxymethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 565.956 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 3.3 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(acetoxymethyl) ester |
Inchi Key | HVCKQHOQLXAGQU-VFNWGFHPSA-N |
Inchi ID | InChI=1S/C26H28ClNO11/c1-15(28-12-21(31)19-5-4-6-20(27)11-19)9-18-7-8-22-23(10-18)39-26(38-22,24(32)36-13-34-16(2)29)25(33)37-14-35-17(3)30/h4-8,10-11,15,21,28,31H,9,12-14H2,1-3H3/t15-,21+/m1/s1 |
PubChem CID | 44300364 |
ChEMBL | CHEMBL58635 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
124841 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218