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Name | CHEMBL285888 |
---|---|
Molecular formula | C19H22Cl2N2O4 |
IUPAC name | 2-[2,3-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]-2,3-dichlorophenyl]amino]acetic acid BDBM50409478 SCHEMBL8081757 |
Inchi Key | NVTMXWRWVHYYIS-WLRWDXFRSA-N |
Inchi ID | InChI=1S/C19H22Cl2N2O4/c1-11(19(27)13-2-5-14(24)6-3-13)22-9-8-12-4-7-15(18(21)17(12)20)23-10-16(25)26/h2-7,11,19,22-24,27H,8-10H2,1H3,(H,25,26)/t11-,19-/m0/s1 |
PubChem CID | 10787873 |
ChEMBL | CHEMBL285888 |
IUPHAR | N/A |
BindingDB | 50409478 |
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 |
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233352 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
233354 | Beta-2 adrenergic receptor | P10608 | Adrb2 | Rattus norvegicus (Rat) | 418 |
233353 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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