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Ligand

NameCHEMBL1940527
Molecular formulaC28H32BrClN4OS
IUPAC name[(1S,2S,4R)-4-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-chloropyridin-2-yl)piperazin-1-yl]methanone
Molecular weight588.005
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50362429
Inchi KeySCXRDQGWPLPUEE-NEBIIKFJSA-N
Inchi IDInChI=1S/C28H32BrClN4OS/c1-19(20-2-4-22(29)5-3-20)32-24-7-8-25(26(16-24)21-10-15-36-18-21)28(35)34-13-11-33(12-14-34)27-9-6-23(30)17-31-27/h2-6,9-10,15,17-19,24-26,32H,7-8,11-14,16H2,1H3/t19-,24-,25+,26-/m1/s1
PubChem CID57401830
ChEMBLCHEMBL1940527
IUPHARN/A
BindingDB50362429
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
311227Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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