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Ligand

NameCHEMBL221903
Molecular formulaC27H34FN3O2
IUPAC name1-(3-acetylphenyl)-3-[3-[(2S,4R)-4-[(4-fluorophenyl)methyl]-1-prop-2-enylpiperidin-2-yl]propyl]urea
Molecular weight451.586
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50193771
SCHEMBL6773643
1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-allylpiperidin-2-yl)propyl)-3-(3-acetylphenyl)urea
Inchi KeyAZOHUEDNMOIDOC-NVQXNPDNSA-N
Inchi IDInChI=1S/C27H34FN3O2/c1-3-15-31-16-13-22(17-21-9-11-24(28)12-10-21)18-26(31)8-5-14-29-27(33)30-25-7-4-6-23(19-25)20(2)32/h3-4,6-7,9-12,19,22,26H,1,5,8,13-18H2,2H3,(H2,29,30,33)/t22-,26-/m0/s1
PubChem CID44419340
ChEMBLCHEMBL221903
IUPHARN/A
BindingDB50193771
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18368C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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