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Name | CHEMBL497281 |
---|---|
Molecular formula | C26H26ClNO4 |
IUPAC name | 2-[3-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]phenoxy]acetic acid |
Molecular weight | 451.947 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 2.6 |
Synonyms | [3-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)phenoxy]acetic Acid BDBM50272841 |
Inchi Key | BAHMSWMBSNWHJY-ZCYQVOJMSA-N |
Inchi ID | InChI=1S/C26H26ClNO4/c27-22-5-1-4-20(12-22)25(29)15-28-23-10-9-17-7-8-19(11-21(17)13-23)18-3-2-6-24(14-18)32-16-26(30)31/h1-8,11-12,14,23,25,28-29H,9-10,13,15-16H2,(H,30,31)/t23-,25-/m0/s1 |
PubChem CID | 24949416 |
ChEMBL | CHEMBL497281 |
IUPHAR | N/A |
BindingDB | 50272841 |
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 |
---|---|---|---|---|---|
18885 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
18884 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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