You can:
Name | CHEMBL243331 |
---|---|
Molecular formula | C30H36ClNO11 |
IUPAC name | bis(butanoyloxymethyl) 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 | 5.0 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(butyryloxymethyl) ester |
Inchi Key | IPJWKQWZQMXWIP-XXBNENTESA-N |
Inchi ID | InChI=1S/C30H36ClNO11/c1-4-7-26(34)38-17-40-28(36)30(29(37)41-18-39-27(35)8-5-2)42-24-12-11-20(14-25(24)43-30)13-19(3)32-16-23(33)21-9-6-10-22(31)15-21/h6,9-12,14-15,19,23,32-33H,4-5,7-8,13,16-18H2,1-3H3/t19-,23+/m1/s1 |
PubChem CID | 44300321 |
ChEMBL | CHEMBL243331 |
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 |
---|---|---|---|---|---|
138641 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218