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Ligand

NameSCHEMBL738913
Molecular formulaC50H54N6O7
IUPAC name[1-[3-[3-[2-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2,5-dimethylanilino]-2-oxoethyl]-N-methylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular weight851.017
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP5.5
SynonymsCHEMBL3645325
BDBM103790
US8551978, I-60
US8816088, I-60
Inchi KeyAQXSFUIPLNARQT-GWHBCOKCSA-N
Inchi IDInChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1
PubChem CID59548112
ChEMBLCHEMBL3645325
IUPHARN/A
BindingDB103790
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
533965Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
12184Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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