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Ligand

NameCHEMBL1940362
Molecular formulaC30H38N4O3S
IUPAC name[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-methoxypyridin-2-yl)piperazin-1-yl]methanone
Molecular weight534.719
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50362442
Inchi KeyGWANAUJTYJQSLE-MPQQFYCHSA-N
Inchi IDInChI=1S/C30H38N4O3S/c1-21(22-4-7-25(36-2)8-5-22)32-24-6-10-27(28(18-24)23-12-17-38-20-23)30(35)34-15-13-33(14-16-34)29-11-9-26(37-3)19-31-29/h4-5,7-9,11-12,17,19-21,24,27-28,32H,6,10,13-16,18H2,1-3H3/t21-,24-,27+,28-/m1/s1
PubChem CID57391211
ChEMBLCHEMBL1940362
IUPHARN/A
BindingDB50362442
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
106720Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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