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Ligand

NameSCHEMBL739957
Molecular formulaC48H50N6O7
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 weight822.963
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP5.2
SynonymsCHEMBL3645292
BDBM103757
US8551978, I-26
US8816088, I-26
Inchi KeyAASAEQLTIUBPQN-QLKFWGTOSA-N
Inchi IDInChI=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 CID59548051
ChEMBLCHEMBL3645292
IUPHARN/A
BindingDB103757
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
533913Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
482Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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