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Ligand

NameCHEMBL3675745
Molecular formulaC28H35N7O3
IUPAC name(2S)-1-[4-[5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-hydroxy-2-(methylamino)propan-1-one
Molecular weight517.634
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM123513
SCHEMBL12802285
US8748435, 38
Inchi KeyZVDIRDYLOZQUEA-DEOSSOPVSA-N
Inchi IDInChI=1S/C28H35N7O3/c1-5-23-22(25-30-17(2)14-18(3)35(25)33-23)15-19-6-8-20(9-7-19)26-31-32-27(38-26)21-10-12-34(13-11-21)28(37)24(16-36)29-4/h6-9,14,21,24,29,36H,5,10-13,15-16H2,1-4H3/t24-/m0/s1
PubChem CID68378961
ChEMBLCHEMBL3675745
IUPHARN/A
BindingDB123513
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
438272G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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