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Ligand

NameCHEMBL1938418
Molecular formulaC33H37FN4O3S
IUPAC name[4-(6-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight588.742
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50362418
Inchi KeyCRVUJSZHQDCFMW-FPNNDXFKSA-N
Inchi IDInChI=1S/C33H37FN4O3S/c1-40-26-7-3-23(4-8-26)33(12-2-13-33)36-25-6-9-27(28(20-25)22-11-18-42-21-22)31(39)37-14-16-38(17-15-37)32-35-29-10-5-24(34)19-30(29)41-32/h3-5,7-8,10-11,18-19,21,25,27-28,36H,2,6,9,12-17,20H2,1H3/t25-,27+,28-/m1/s1
PubChem CID57402913
ChEMBLCHEMBL1938418
IUPHARN/A
BindingDB50362418
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
49151Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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