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Name | CHEMBL57275 |
---|---|
Molecular formula | C42H48ClNO7 |
IUPAC name | bis(5-phenylpentyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 714.296 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 9.8 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(5-phenylpentyl) ester |
Inchi Key | HMIQWPMBJVCXPG-XLNFBEDTSA-N |
Inchi ID | InChI=1S/C42H48ClNO7/c1-31(44-30-37(45)35-21-14-22-36(43)29-35)27-34-23-24-38-39(28-34)51-42(50-38,40(46)48-25-12-4-10-19-32-15-6-2-7-16-32)41(47)49-26-13-5-11-20-33-17-8-3-9-18-33/h2-3,6-9,14-18,21-24,28-29,31,37,44-45H,4-5,10-13,19-20,25-27,30H2,1H3/t31-,37+/m1/s1 |
PubChem CID | 44300323 |
ChEMBL | CHEMBL57275 |
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 |
---|---|---|---|---|---|
118662 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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