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Ligand

NameCHEMBL499582
Molecular formulaC33H37N5O4
IUPAC name3-[4-[1-[[2-(6,7-dimethyl-2-oxoquinoxalin-1-yl)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide
Molecular weight567.69
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50244018
SCHEMBL2948389
4''-(1-{[2-(6,7-Dimethyl-2-oxo-2H-quinoxalin-1-yl)-acetyl]-methyl-amino}-2-morpholin-4-yl-ethyl)-biphenyl-3-carboxylic acid methylamide
Inchi KeyDWAGGUQJLSNEEU-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H37N5O4/c1-22-16-28-29(17-23(22)2)38(31(39)19-35-28)21-32(40)36(4)30(20-37-12-14-42-15-13-37)25-10-8-24(9-11-25)26-6-5-7-27(18-26)33(41)34-3/h5-11,16-19,30H,12-15,20-21H2,1-4H3,(H,34,41)
PubChem CID44561237
ChEMBLCHEMBL499582
IUPHARN/A
BindingDB50244018
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
70420Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
70421Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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