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Ligand

NameCHEMBL50556
Molecular formulaC36H44ClN5O4
IUPAC name4-[3-[[butyl(methylcarbamoyl)amino]methyl]phenyl]-N-[1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-oxoazepan-3-yl]benzamide
Molecular weight646.229
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.5
Synonyms3''-(1-Butyl-3-methyl-ureidomethyl)-biphenyl-4-carboxylic acid (1-{[2-(4-chloro-phenyl)-ethylcarbamoyl]-methyl}-2-oxo-azepan-3-yl)-amide
BDBM50142653
Inchi KeyKBHQOVIJQHQAIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H44ClN5O4/c1-3-4-21-42(36(46)38-2)24-27-8-7-9-30(23-27)28-13-15-29(16-14-28)34(44)40-32-10-5-6-22-41(35(32)45)25-33(43)39-20-19-26-11-17-31(37)18-12-26/h7-9,11-18,23,32H,3-6,10,19-22,24-25H2,1-2H3,(H,38,46)(H,39,43)(H,40,44)
PubChem CID10461880
ChEMBLCHEMBL50556
IUPHARN/A
BindingDB50142653
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
165071Follicle-stimulating hormone receptorP23945FSHRHomo sapiens (Human)695

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