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Ligand

NameCHEMBL1940357
Molecular formulaC29H35ClN4O2S
IUPAC name[4-(4-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight539.135
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50362447
Inchi KeyUROHBKKJZKBRDF-PBBMNAFMSA-N
Inchi IDInChI=1S/C29H35ClN4O2S/c1-20(21-3-6-25(36-2)7-4-21)32-24-5-8-26(27(18-24)22-10-16-37-19-22)29(35)34-14-12-33(13-15-34)28-17-23(30)9-11-31-28/h3-4,6-7,9-11,16-17,19-20,24,26-27,32H,5,8,12-15,18H2,1-2H3/t20-,24-,26+,27-/m1/s1
PubChem CID57396478
ChEMBLCHEMBL1940357
IUPHARN/A
BindingDB50362447
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
343802Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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