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Ligand

NameCHEMBL1682217
Molecular formulaC27H26Cl2N4O4
IUPAC name1-[(2,6-dichlorophenyl)methyl]-3-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]urea
Molecular weight541.429
Hydrogen bond acceptor5
Hydrogen bond donor6
XlogP3.4
SynonymsSCHEMBL12892088
BDBM50337294
1-(2,6-dichlorobenzyl)-3-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)ethyl)phenyl)urea
Inchi KeyAGRBGRIZVSNPBG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26Cl2N4O4/c28-21-5-2-6-22(29)20(21)14-31-27(37)32-17-4-1-3-16(13-17)11-12-30-15-24(35)18-7-9-23(34)26-19(18)8-10-25(36)33-26/h1-10,13,24,30,34-35H,11-12,14-15H2,(H,33,36)(H2,31,32,37)
PubChem CID44237669
ChEMBLCHEMBL1682217
IUPHARN/A
BindingDB50337294
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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5140Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
5139Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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