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Name | SCHEMBL739957 |
---|---|
Molecular formula | C48H50N6O7 |
IUPAC name | [1-[3-[5-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]carbamoyl]-N,2-dimethylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate |
Molecular weight | 822.963 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 6 |
XlogP | 5.2 |
Synonyms | CHEMBL3645292 US8816088, I-26 BDBM103757 US8551978, I-26 |
Inchi Key | AASAEQLTIUBPQN-QLKFWGTOSA-N |
Inchi ID | InChI=1S/C48H50N6O7/c1-31-12-15-34(47(59)50-35-16-13-32(14-17-35)29-49-30-43(56)38-18-20-42(55)46-39(38)19-21-44(57)52-46)28-41(31)53(2)45(58)24-27-54-25-22-36(23-26-54)61-48(60)51-40-11-7-6-10-37(40)33-8-4-3-5-9-33/h3-21,28,36,43,49,55-56H,22-27,29-30H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)/t43-/m0/s1 |
PubChem CID | 59548051 |
ChEMBL | CHEMBL3645292 |
IUPHAR | N/A |
BindingDB | 103757 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
533913 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
482 | Muscarinic acetylcholine receptor M3 | P20309 | CHRM3 | Homo sapiens (Human) | 590 |
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