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Name | CHEMBL57091 |
---|---|
Molecular formula | C30H40ClNO7 |
IUPAC name | bis(3-methylbutyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 562.1 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 6.7 |
Synonyms | FHFZLRVQWNWHKK-BWKNWUBXSA-N 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid diisopentyl ester 5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(3-methylbutyl)ester |
Inchi Key | FHFZLRVQWNWHKK-BWKNWUBXSA-N |
Inchi ID | InChI=1S/C30H40ClNO7/c1-19(2)11-13-36-28(34)30(29(35)37-14-12-20(3)4)38-26-10-9-22(16-27(26)39-30)15-21(5)32-18-25(33)23-7-6-8-24(31)17-23/h6-10,16-17,19-21,25,32-33H,11-15,18H2,1-5H3/t21-,25+/m1/s1 |
PubChem CID | 10053575 |
ChEMBL | CHEMBL57091 |
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 |
---|---|---|---|---|---|
78362 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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