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Ligand

NameCHEMBL220801
Molecular formulaC26H34FN3O3
IUPAC name1-(3-acetylphenyl)-3-[3-[(2S,4R)-4-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)piperidin-2-yl]propyl]urea
Molecular weight455.574
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50193781
SCHEMBL7662809
1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-hydroxyethyl)piperidin-2-yl)propyl)-3-(3-acetylphenyl)urea
Inchi KeyAEEJHYWVYVJIRH-OFVILXPXSA-N
Inchi IDInChI=1S/C26H34FN3O3/c1-19(32)22-4-2-5-24(18-22)29-26(33)28-12-3-6-25-17-21(11-13-30(25)14-15-31)16-20-7-9-23(27)10-8-20/h2,4-5,7-10,18,21,25,31H,3,6,11-17H2,1H3,(H2,28,29,33)/t21-,25-/m0/s1
PubChem CID22966050
ChEMBLCHEMBL220801
IUPHARN/A
BindingDB50193781
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
3385C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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