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Ligand

NameCHEMBL1940371
Molecular formulaC28H33ClN4OS
IUPAC name[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-phenylethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight509.109
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50362433
Inchi KeyLEHHYQLIWLBROC-YEHREXKJSA-N
Inchi IDInChI=1S/C28H33ClN4OS/c1-20(21-5-3-2-4-6-21)31-24-8-9-25(26(17-24)22-11-16-35-19-22)28(34)33-14-12-32(13-15-33)27-10-7-23(29)18-30-27/h2-7,10-11,16,18-20,24-26,31H,8-9,12-15,17H2,1H3/t20-,24-,25+,26-/m1/s1
PubChem CID57400009
ChEMBLCHEMBL1940371
IUPHARN/A
BindingDB50362433
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
185295Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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