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Ligand

NameCHEMBL370082
Molecular formulaC28H36FN3O2
IUPAC name1-(3-acetylphenyl)-3-[(1R,2S)-2-[[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
Molecular weight465.613
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM50163645
SCHEMBL18840907
1-(3-Acetyl-phenyl)-3-{(1R,2S)-2-[(R)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
Inchi KeyASRDPULQBHFPGU-RWCIVJTCSA-N
Inchi IDInChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24+,27-/m1/s1
PubChem CID11385766
ChEMBLCHEMBL370082
IUPHARN/A
BindingDB50163645
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
13448C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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