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Ligand

NameUS8551978, I-25
Molecular formulaC47H48N6O7
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 weight808.936
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP4.8
SynonymsSCHEMBL738877
BDBM6427
CHEMBL3645364
US8816088, 25
Inchi KeyARCRSHGBFYOWBH-WBCKFURZSA-N
Inchi IDInChI=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 CID59548055
ChEMBLCHEMBL3645364
IUPHARN/A
BindingDB6427
DrugBankN/A

Structure

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2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536312Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
12319Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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