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Name | CHEMBL293350 |
---|---|
Molecular formula | C32H44ClNO9 |
IUPAC name | bis(2-butoxyethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 622.152 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 5.5 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-butoxyethyl) ester |
Inchi Key | KJCHKGANNQGNTF-KCWPFWIISA-N |
Inchi ID | InChI=1S/C32H44ClNO9/c1-4-6-13-38-15-17-40-30(36)32(31(37)41-18-16-39-14-7-5-2)42-28-12-11-24(20-29(28)43-32)19-23(3)34-22-27(35)25-9-8-10-26(33)21-25/h8-12,20-21,23,27,34-35H,4-7,13-19,22H2,1-3H3/t23-,27+/m1/s1 |
PubChem CID | 44300460 |
ChEMBL | CHEMBL293350 |
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 |
---|---|---|---|---|---|
170359 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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