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Name | CHEMBL271945 |
---|---|
Molecular formula | C26H29NO4 |
IUPAC name | 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid |
Molecular weight | 419.521 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 2.2 |
Synonyms | 4'-[2-[[(betaR)-beta-Hydroxyphenethyl]amino]ethyl]-3-isopropoxy-4-biphenylcarboxylic acid BDBM50236185 (R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-isopropoxybiphenyl-4-carboxylic acid 4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)-3-isopropoxy-4-biphenylcarboxylic acid 4''-[2-((R)-2-Hydroxy-2-phenyl-ethylamino)-ethyl]-3-isopropoxy-biphenyl-4-carboxylic acid |
Inchi Key | PZOXHDZLMHAWOO-DEOSSOPVSA-N |
Inchi ID | InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1 |
PubChem CID | 24822974 |
ChEMBL | CHEMBL271945 |
IUPHAR | N/A |
BindingDB | 50236185 |
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 |
---|---|---|---|---|---|
272871 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
272869 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
272868 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
272870 | Beta-3 adrenergic receptor | O02662 | ADRB3 | Canis lupus familiaris (Dog) | 405 |
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