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Name | CHEMBL470292 |
---|---|
Molecular formula | C25H28N2O4 |
IUPAC name | 4-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid |
Molecular weight | 420.509 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 1.2 |
Synonyms | (R)-4''-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)-3-isopropoxybiphenyl-4-carboxylic acid BDBM50243064 4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)-3-isopropoxy-4-biphenylcarboxylic acid |
Inchi Key | YNNCJPLSEBDJPD-QHCPKHFHSA-N |
Inchi ID | InChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,29,30)/t23-/m0/s1 |
PubChem CID | 24895783 |
ChEMBL | CHEMBL470292 |
IUPHAR | N/A |
BindingDB | 50243064 |
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 |
---|---|---|---|---|---|
414626 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
414625 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
414623 | Beta-3 adrenergic receptor | O02662 | ADRB3 | Canis lupus familiaris (Dog) | 405 |
414624 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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