You can:
| Name | SCHEMBL738884 |
|---|---|
| Molecular formula | C46H54N6O7 |
| IUPAC name | [1-[3-[[5-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-methylanilino]-5-oxopentyl]-methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate |
| Molecular weight | 802.973 |
| Hydrogen bond acceptor | 9 |
| Hydrogen bond donor | 6 |
| XlogP | 4.3 |
| Synonyms | US8551978, I-15 CHEMBL3645283 BDBM103748 |
| Inchi Key | AFEIULHOTSQERY-RWYGWLOXSA-N |
| Inchi ID | InChI=1S/C46H54N6O7/c1-31-28-32(29-47-30-41(54)36-16-19-40(53)45-37(36)17-20-43(56)50-45)15-18-38(31)48-42(55)14-8-9-24-51(2)44(57)23-27-52-25-21-34(22-26-52)59-46(58)49-39-13-7-6-12-35(39)33-10-4-3-5-11-33/h3-7,10-13,15-20,28,34,41,47,53-54H,8-9,14,21-27,29-30H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t41-/m0/s1 |
| PubChem CID | 59548122 |
| ChEMBL | CHEMBL3645283 |
| IUPHAR | N/A |
| BindingDB | 103748 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
You can:
| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 533923 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
| 4080 | Muscarinic acetylcholine receptor M3 | P20309 | CHRM3 | Homo sapiens (Human) | 590 |
zhanglab
zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417