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Ligand

NameCHEMBL495736
Molecular formulaC28H36ClN5O3
IUPAC name[1-[1-[4-[(4-chlorophenyl)methylamino]-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol
Molecular weight526.078
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50265748
(1''-{4-[(4-Chlorobenzyl)amino]-6,7-dimethoxyquinazolin-2-yl}-1,4''-bipiperidin-3-yl)methanol
Inchi KeyJUTQNVZXCFFRSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H36ClN5O3/c1-36-25-14-23-24(15-26(25)37-2)31-28(32-27(23)30-16-19-5-7-21(29)8-6-19)33-12-9-22(10-13-33)34-11-3-4-20(17-34)18-35/h5-8,14-15,20,22,35H,3-4,9-13,16-18H2,1-2H3,(H,30,31,32)
PubChem CID44581102
ChEMBLCHEMBL495736
IUPHARN/A
BindingDB50265748
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
160483C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
160484C-C chemokine receptor type 4P51680Ccr4Mus musculus (Mouse)360

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