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Ligand

NameCHEMBL195291
Molecular formulaC26H33F3N4O
IUPAC name1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
Molecular weight474.572
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50162410
1-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethyl]-3-phenyl-urea
Inchi KeyAHHOJFQACICXEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33F3N4O/c27-26(28,29)21-13-11-20(12-14-21)24(19-30-25(34)31-22-7-3-1-4-8-22)33-17-15-32(16-18-33)23-9-5-2-6-10-23/h1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2,(H2,30,31,34)
PubChem CID44401037
ChEMBLCHEMBL195291
IUPHARN/A
BindingDB50162410
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
5555C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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