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Ligand

NameCHEMBL2158791
Molecular formulaC28H36ClFN2O3
IUPAC name(2S)-2-[4-[[4-(4-chloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoic acid
Molecular weight503.055
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50394114
SCHEMBL180011
AZ-12436092
Inchi KeyAQVKRBFXFFKXJV-NDEPHWFRSA-N
Inchi IDInChI=1S/C28H36ClFN2O3/c1-20-17-23(29)5-8-26(20)35-25-11-13-31(14-12-25)19-22-9-15-32(16-10-22)28(2,27(33)34)18-21-3-6-24(30)7-4-21/h3-8,17,22,25H,9-16,18-19H2,1-2H3,(H,33,34)/t28-/m0/s1
PubChem CID16040671
ChEMBLCHEMBL2158791
IUPHARN/A
BindingDB50394114
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
12132C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
12133Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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