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Ligand

NameSCHEMBL741232
Molecular formulaC52H58N6O8
IUPAC name[1-[3-[4-[2-[[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]-4-methoxyphenyl]methylamino]-2-oxoethyl]-N-methylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular weight895.07
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogP5.6
SynonymsUS8551978, I-72
CHEMBL3645336
US8816088, I-72
BDBM103802
Inchi KeyASGGQRAVBINOEP-LYMXURKRSA-N
Inchi IDInChI=1S/C52H58N6O8/c1-34(53-33-46(60)42-18-20-45(59)51-43(42)19-22-48(61)56-51)29-38-30-36(15-21-47(38)65-3)32-54-49(62)31-35-13-16-39(17-14-35)57(2)50(63)25-28-58-26-23-40(24-27-58)66-52(64)55-44-12-8-7-11-41(44)37-9-5-4-6-10-37/h4-22,30,34,40,46,53,59-60H,23-29,31-33H2,1-3H3,(H,54,62)(H,55,64)(H,56,61)/t34?,46-/m0/s1
PubChem CID59548060
ChEMBLCHEMBL3645336
IUPHARN/A
BindingDB103802
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
533969Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
13111Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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