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Name | CHEMBL57861 |
---|---|
Molecular formula | C32H44ClNO7 |
IUPAC name | dihexyl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 590.154 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 8.0 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid dihexyl ester |
Inchi Key | HCYJCCHZPFJEFY-KCWPFWIISA-N |
Inchi ID | InChI=1S/C32H44ClNO7/c1-4-6-8-10-17-38-30(36)32(31(37)39-18-11-9-7-5-2)40-28-16-15-24(20-29(28)41-32)19-23(3)34-22-27(35)25-13-12-14-26(33)21-25/h12-16,20-21,23,27,34-35H,4-11,17-19,22H2,1-3H3/t23-,27+/m1/s1 |
PubChem CID | 44300074 |
ChEMBL | CHEMBL57861 |
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 |
---|---|---|---|---|---|
111758 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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