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Name | CHEMBL32933 |
---|---|
Molecular formula | C19H23ClN2O4 |
IUPAC name | 2-[3-chloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]acetic acid |
Molecular weight | 378.853 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 5 |
XlogP | 0.6 |
Synonyms | BDBM50409479 [[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]-3-chlorophenyl]amino]acetic acid |
Inchi Key | ORWFEISRNOYJLP-BUXKBTBVSA-N |
Inchi ID | InChI=1S/C19H23ClN2O4/c1-12(19(26)14-3-6-16(23)7-4-14)21-9-8-13-2-5-15(10-17(13)20)22-11-18(24)25/h2-7,10,12,19,21-23,26H,8-9,11H2,1H3,(H,24,25)/t12-,19-/m0/s1 |
PubChem CID | 10809699 |
ChEMBL | CHEMBL32933 |
IUPHAR | N/A |
BindingDB | 50409479 |
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 |
---|---|---|---|---|---|
248900 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
248901 | Beta-2 adrenergic receptor | P10608 | Adrb2 | Rattus norvegicus (Rat) | 418 |
248902 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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