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Name | CHEMBL523265 |
---|---|
Molecular formula | C26H28ClNO5 |
IUPAC name | 5-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenoxy]-2-propan-2-yloxybenzoic acid |
Molecular weight | 469.962 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.8 |
Synonyms | BDBM50264675 (R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)phenoxy)-2-isopropoxybenzoic acid |
Inchi Key | KRDKLBROXABSCR-DEOSSOPVSA-N |
Inchi ID | InChI=1S/C26H28ClNO5/c1-17(2)32-25-10-9-22(15-23(25)26(30)31)33-21-8-3-5-18(13-21)11-12-28-16-24(29)19-6-4-7-20(27)14-19/h3-10,13-15,17,24,28-29H,11-12,16H2,1-2H3,(H,30,31)/t24-/m0/s1 |
PubChem CID | 25071020 |
ChEMBL | CHEMBL523265 |
IUPHAR | N/A |
BindingDB | 50264675 |
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 |
---|---|---|---|---|---|
176199 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
176198 | Beta-3 adrenergic receptor | O02662 | ADRB3 | Canis lupus familiaris (Dog) | 405 |
176200 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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