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Name | CHEMBL56963 |
---|---|
Molecular formula | C25H30ClNO7 |
IUPAC name | 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2-pentan-3-yloxycarbonyl-1,3-benzodioxole-2-carboxylic acid |
Molecular weight | 491.965 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 2.6 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid 2-(1-ethylpropyl) ester |
Inchi Key | KNSBTUJYPAGFAM-DEELOZETSA-N |
Inchi ID | InChI=1S/C25H30ClNO7/c1-4-19(5-2)32-24(31)25(23(29)30)33-21-10-9-16(12-22(21)34-25)11-15(3)27-14-20(28)17-7-6-8-18(26)13-17/h6-10,12-13,15,19-20,27-28H,4-5,11,14H2,1-3H3,(H,29,30)/t15-,20+,25?/m1/s1 |
PubChem CID | 44300454 |
ChEMBL | CHEMBL56963 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
173631 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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