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Ligand

NameCHEMBL2158778
Molecular formulaC26H32ClFN2O3
IUPAC name(2S)-2-[4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)propanoic acid
Molecular weight475.001
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50394122
SCHEMBL18841150
Inchi KeyBATQCPTUBUKUDO-VWLOTQADSA-N
Inchi IDInChI=1S/C26H32ClFN2O3/c27-21-3-7-23(8-4-21)33-24-11-13-29(14-12-24)18-20-9-15-30(16-10-20)25(26(31)32)17-19-1-5-22(28)6-2-19/h1-8,20,24-25H,9-18H2,(H,31,32)/t25-/m0/s1
PubChem CID71451390
ChEMBLCHEMBL2158778
IUPHARN/A
BindingDB50394122
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19170C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
19169Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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