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Ligand

NameCHEMBL193871
Molecular formulaC27H38N4O3
IUPAC name1-[2-(4-cyclohexylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)urea
Molecular weight466.626
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50162364
SCHEMBL18840945
1-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-3-(4-methoxy-phenyl)-urea
Inchi KeyBHODTMHSZWBBFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H38N4O3/c1-33-23-14-12-21(13-15-23)29-27(32)28-20-25(24-10-6-7-11-26(24)34-2)31-18-16-30(17-19-31)22-8-4-3-5-9-22/h6-7,10-15,22,25H,3-5,8-9,16-20H2,1-2H3,(H2,28,29,32)
PubChem CID44401173
ChEMBLCHEMBL193871
IUPHARN/A
BindingDB50162364
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
23915C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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