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Name | CHEMBL56957 |
---|---|
Molecular formula | C32H40ClNO7 |
IUPAC name | dicyclohexyl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 586.122 |
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 dicyclohexyl ester |
Inchi Key | HCUYDELGRGZNGA-ZBLYBZFDSA-N |
Inchi ID | InChI=1S/C32H40ClNO7/c1-21(34-20-27(35)23-9-8-10-24(33)19-23)17-22-15-16-28-29(18-22)41-32(40-28,30(36)38-25-11-4-2-5-12-25)31(37)39-26-13-6-3-7-14-26/h8-10,15-16,18-19,21,25-27,34-35H,2-7,11-14,17,20H2,1H3/t21-,27+/m1/s1 |
PubChem CID | 44300592 |
ChEMBL | CHEMBL56957 |
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 |
---|---|---|---|---|---|
111623 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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