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| Name | US8551978, I-25 |
|---|---|
| Molecular formula | C47H48N6O7 |
| IUPAC name | [1-[3-[3-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]carbamoyl]-N-methylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate |
| Molecular weight | 808.936 |
| Hydrogen bond acceptor | 9 |
| Hydrogen bond donor | 6 |
| XlogP | 4.8 |
| Synonyms | CHEMBL3645364 US8816088, 25 BDBM6427 SCHEMBL738877 |
| Inchi Key | ARCRSHGBFYOWBH-WBCKFURZSA-N |
| Inchi ID | InChI=1S/C47H48N6O7/c1-52(44(57)24-27-53-25-22-36(23-26-53)60-47(59)50-40-13-6-5-12-37(40)32-8-3-2-4-9-32)35-11-7-10-33(28-35)46(58)49-34-16-14-31(15-17-34)29-48-30-42(55)38-18-20-41(54)45-39(38)19-21-43(56)51-45/h2-21,28,36,42,48,54-55H,22-27,29-30H2,1H3,(H,49,58)(H,50,59)(H,51,56)/t42-/m0/s1 |
| PubChem CID | 59548055 |
| ChEMBL | CHEMBL3645364 |
| IUPHAR | N/A |
| BindingDB | 6427 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 536312 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
| 12319 | Muscarinic acetylcholine receptor M3 | P20309 | CHRM3 | Homo sapiens (Human) | 590 |
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