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Ligand

NameCHEMBL104481
Molecular formulaC29H42N4O4
IUPAC nameN-cyclohexyl-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]piperidine-1-carboxamide
Molecular weight510.679
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP4.1
Synonyms4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid cyclohexylamide
BDBM50106973
N-Cyclohexyl-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]-1-piperidinecarboxamide
SCHEMBL7090670
Inchi KeyAGOJNUPIGRPSJZ-MHZLTWQESA-N
Inchi IDInChI=1S/C29H42N4O4/c34-26-10-12-28(13-11-26)37-21-27(35)20-30-17-14-22-6-8-24(9-7-22)31-25-15-18-33(19-16-25)29(36)32-23-4-2-1-3-5-23/h6-13,23,25,27,30-31,34-35H,1-5,14-21H2,(H,32,36)/t27-/m0/s1
PubChem CID10142284
ChEMBLCHEMBL104481
IUPHARN/A
BindingDB50106973
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5075Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
5076Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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