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Ligand

NameCHEMBL1940365
Molecular formulaC27H33BrN4O2S2
IUPAC name[4-(5-bromo-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight589.611
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50362439
Inchi KeyYQLBBZGURBVWMP-OLOOCYQZSA-N
Inchi IDInChI=1S/C27H33BrN4O2S2/c1-18(19-3-6-22(34-2)7-4-19)30-21-5-8-23(24(15-21)20-9-14-35-17-20)26(33)31-10-12-32(13-11-31)27-29-16-25(28)36-27/h3-4,6-7,9,14,16-18,21,23-24,30H,5,8,10-13,15H2,1-2H3/t18-,21-,23+,24-/m1/s1
PubChem CID57394807
ChEMBLCHEMBL1940365
IUPHARN/A
BindingDB50362439
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
416677Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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