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Ligand

NameCHEMBL176077
Molecular formulaC27H36FN3O
IUPAC name1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(2-methylphenyl)urea
Molecular weight437.603
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.8
SynonymsBDBM50163671
SCHEMBL18840708
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-o-tolyl-urea
Inchi KeyAUZDFHZZRBZEPU-JCYRPKCISA-N
Inchi IDInChI=1S/C27H36FN3O/c1-20-7-2-4-10-25(20)29-27(32)30-26-11-5-3-9-23(26)19-31-16-6-8-22(18-31)17-21-12-14-24(28)15-13-21/h2,4,7,10,12-15,22-23,26H,3,5-6,8-9,11,16-19H2,1H3,(H2,29,30,32)/t22-,23-,26+/m0/s1
PubChem CID11154845
ChEMBLCHEMBL176077
IUPHARN/A
BindingDB50163671
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15074C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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