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Ligand

NameCHEMBL183261
Molecular formulaC32H39N3O
IUPAC name1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
Molecular weight481.684
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50157015
1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-(3-methyl-benzyl)-urea
Inchi KeyACQOHKAMPJYKEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H39N3O/c1-3-20-35(32(36)33-25-27-12-10-11-26(2)24-27)30-17-21-34(22-18-30)23-19-31(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h3-16,24,30-31H,1,17-23,25H2,2H3,(H,33,36)
PubChem CID44392196
ChEMBLCHEMBL183261
IUPHARN/A
BindingDB50157015
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1800C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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