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Ligand

NameCHEMBL1940363
Molecular formulaC30H35N5O2S
IUPAC name6-[4-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
Molecular weight529.703
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50362441
Inchi KeyCBIXQSLRCZFAHJ-WPFDQAMCSA-N
Inchi IDInChI=1S/C30H35N5O2S/c1-21(23-4-7-26(37-2)8-5-23)33-25-6-9-27(28(17-25)24-11-16-38-20-24)30(36)35-14-12-34(13-15-35)29-10-3-22(18-31)19-32-29/h3-5,7-8,10-11,16,19-21,25,27-28,33H,6,9,12-15,17H2,1-2H3/t21-,25-,27+,28-/m1/s1
PubChem CID57391303
ChEMBLCHEMBL1940363
IUPHARN/A
BindingDB50362441
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
37924Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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