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Ligand

NameCHEMBL1940366
Molecular formulaC27H32F3N5O2S2
IUPAC name[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
Molecular weight579.701
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50362438
Inchi KeyHOVSLXHXZHFJMS-ZZNFJVAJSA-N
Inchi IDInChI=1S/C27H32F3N5O2S2/c1-17(18-3-6-21(37-2)7-4-18)31-20-5-8-22(23(15-20)19-9-14-38-16-19)24(36)34-10-12-35(13-11-34)26-33-32-25(39-26)27(28,29)30/h3-4,6-7,9,14,16-17,20,22-23,31H,5,8,10-13,15H2,1-2H3/t17-,20-,22+,23-/m1/s1
PubChem CID57394808
ChEMBLCHEMBL1940366
IUPHARN/A
BindingDB50362438
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
120413Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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