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Ligand

NameCHEMBL43656
Molecular formulaC24H30N4O
IUPAC name1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
Molecular weight390.531
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL6330867
Inchi KeyATESZFLERLQBNT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N4O/c25-18-22-9-4-11-23(17-22)27-24(29)26-14-6-16-28-15-5-10-21(19-28)13-12-20-7-2-1-3-8-20/h1-4,7-9,11,17,21H,5-6,10,12-16,19H2,(H2,26,27,29)
PubChem CID22393346
ChEMBLCHEMBL43656
IUPHARN/A
BindingDBN/A
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
13881C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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