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Name | CHEMBL284520 |
---|---|
Molecular formula | C19H22Cl2N2O4 |
IUPAC name | 2-[2,5-dichloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]acetic acid |
Molecular weight | 413.295 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 5 |
XlogP | 1.2 |
Synonyms | [[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]-3,6-dichlorophenyl]amino]acetic acid BDBM50409469 SCHEMBL8080792 |
Inchi Key | OLUUMSDQBWYGCI-WLRWDXFRSA-N |
Inchi ID | InChI=1S/C19H22Cl2N2O4/c1-11(19(27)12-2-4-14(24)5-3-12)22-7-6-13-8-16(21)17(9-15(13)20)23-10-18(25)26/h2-5,8-9,11,19,22-24,27H,6-7,10H2,1H3,(H,25,26)/t11-,19-/m0/s1 |
PubChem CID | 10573759 |
ChEMBL | CHEMBL284520 |
IUPHAR | N/A |
BindingDB | 50409469 |
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 |
---|---|---|---|---|---|
244660 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
244658 | Beta-2 adrenergic receptor | P10608 | Adrb2 | Rattus norvegicus (Rat) | 418 |
244659 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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