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Ligand

NameCHEMBL1940361
Molecular formulaC30H35F3N4O2S
IUPAC name[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
Molecular weight572.691
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50362443
Inchi KeyXSUVWOZRVRXKBK-PBBMNAFMSA-N
Inchi IDInChI=1S/C30H35F3N4O2S/c1-20(21-3-7-25(39-2)8-4-21)35-24-6-9-26(27(17-24)22-11-16-40-19-22)29(38)37-14-12-36(13-15-37)28-10-5-23(18-34-28)30(31,32)33/h3-5,7-8,10-11,16,18-20,24,26-27,35H,6,9,12-15,17H2,1-2H3/t20-,24-,26+,27-/m1/s1
PubChem CID57398266
ChEMBLCHEMBL1940361
IUPHARN/A
BindingDB50362443
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
400050Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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