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Name | CHEMBL60868 |
---|---|
Molecular formula | C28H32ClNO7 |
IUPAC name | bis(cyclopropylmethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 530.014 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 4.8 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(cyclopropylmethyl) ester |
Inchi Key | BFUSPRCMZMZPNZ-HXOBKFHXSA-N |
Inchi ID | InChI=1S/C28H32ClNO7/c1-17(30-14-23(31)21-3-2-4-22(29)13-21)11-20-9-10-24-25(12-20)37-28(36-24,26(32)34-15-18-5-6-18)27(33)35-16-19-7-8-19/h2-4,9-10,12-13,17-19,23,30-31H,5-8,11,14-16H2,1H3/t17-,23+/m1/s1 |
PubChem CID | 44300145 |
ChEMBL | CHEMBL60868 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
22645 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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