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Name | CHEMBL33360 |
---|---|
Molecular formula | C20H26N2O4 |
IUPAC name | 2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-N-methylanilino]acetic acid |
Molecular weight | 358.438 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 0.1 |
Synonyms | [[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]phenyl](methyl)amino]acetic acid BDBM50409480 SCHEMBL8085291 |
Inchi Key | KASWXZAYSNHPMW-XOBRGWDASA-N |
Inchi ID | InChI=1S/C20H26N2O4/c1-14(20(26)16-5-9-18(23)10-6-16)21-12-11-15-3-7-17(8-4-15)22(2)13-19(24)25/h3-10,14,20-21,23,26H,11-13H2,1-2H3,(H,24,25)/t14-,20-/m0/s1 |
PubChem CID | 10666106 |
ChEMBL | CHEMBL33360 |
IUPHAR | N/A |
BindingDB | 50409480 |
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 |
---|---|---|---|---|---|
164657 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
164655 | Beta-2 adrenergic receptor | P10608 | Adrb2 | Rattus norvegicus (Rat) | 418 |
164656 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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