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Name | CHEMBL57431 |
---|---|
Molecular formula | C30H40ClNO7 |
IUPAC name | dipentan-3-yl 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 | 7.0 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(1-ethylpropyl) ester |
Inchi Key | FVVUSKWURCSTKZ-CLOONOSVSA-N |
Inchi ID | InChI=1S/C30H40ClNO7/c1-6-23(7-2)36-28(34)30(29(35)37-24(8-3)9-4)38-26-14-13-20(16-27(26)39-30)15-19(5)32-18-25(33)21-11-10-12-22(31)17-21/h10-14,16-17,19,23-25,32-33H,6-9,15,18H2,1-5H3/t19-,25+/m1/s1 |
PubChem CID | 44300112 |
ChEMBL | CHEMBL57431 |
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 |
---|---|---|---|---|---|
88562 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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