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Ligand

NameCHEMBL2158790
Molecular formulaC28H35Cl2FN2O3
IUPAC name(2S)-2-[4-[[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoic acid
Molecular weight537.497
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50394157
SCHEMBL180056
Inchi KeyAYPGYVOWMUSFPT-NDEPHWFRSA-N
Inchi IDInChI=1S/C28H35Cl2FN2O3/c1-19-25(8-7-24(29)26(19)30)36-23-11-13-32(14-12-23)18-21-9-15-33(16-10-21)28(2,27(34)35)17-20-3-5-22(31)6-4-20/h3-8,21,23H,9-18H2,1-2H3,(H,34,35)/t28-/m0/s1
PubChem CID66615627
ChEMBLCHEMBL2158790
IUPHARN/A
BindingDB50394157
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17662C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
17661Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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