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Ligand

NameCHEMBL1813269
Molecular formulaC33H45N3O5
IUPAC name(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
Molecular weight563.739
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.8
SynonymsCHEMBL1851957
BDBM50350046
SCHEMBL5348454
Inchi KeyAIYYPFTXCWEQTC-LOYHVIPDSA-N
Inchi IDInChI=1S/C33H45N3O5/c1-3-4-20-36-31(38)29(30(37)25-8-6-5-7-9-25)34-32(39)33(36)18-21-35(22-19-33)23-24-10-12-27(13-11-24)41-28-16-14-26(40-2)15-17-28/h10-17,25,29-30,37H,3-9,18-23H2,1-2H3,(H,34,39)/t29-,30-/m1/s1
PubChem CID23577378
ChEMBLN/A
IUPHARN/A
BindingDB50350046
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
6663C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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