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Ligand

NameCHEMBL299385
Molecular formulaC23H27F4N3O
IUPAC name1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
Molecular weight437.483
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50115054
SCHEMBL6339202
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(2-trifluoromethyl-phenyl)-urea
Inchi KeyBKGDSYCWICQSPA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27F4N3O/c24-19-8-6-17(7-9-19)16-18-10-14-30(15-11-18)13-3-12-28-22(31)29-21-5-2-1-4-20(21)23(25,26)27/h1-2,4-9,18H,3,10-16H2,(H2,28,29,31)
PubChem CID22393362
ChEMBLCHEMBL299385
IUPHARN/A
BindingDB50115054
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
25749C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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