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Ligand

NameCHEMBL526474
Molecular formulaC28H36ClN5O3
IUPAC nameN-(4-chlorophenyl)-6,7-dimethoxy-2-[4-[3-(methoxymethyl)piperidin-1-yl]piperidin-1-yl]quinazolin-4-amine
Molecular weight526.078
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50265670
N-(4-Chlorophenyl)-6,7-dimethoxy-2-[3-(methoxymethyl)-1,4''-bipiperidin-1''-yl]quinazolin-4-amine
Inchi KeyIUJUWXIRDRYWGN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H36ClN5O3/c1-35-18-19-5-4-12-34(17-19)22-10-13-33(14-11-22)28-31-24-16-26(37-3)25(36-2)15-23(24)27(32-28)30-21-8-6-20(29)7-9-21/h6-9,15-16,19,22H,4-5,10-14,17-18H2,1-3H3,(H,30,31,32)
PubChem CID44581044
ChEMBLCHEMBL526474
IUPHARN/A
BindingDB50265670
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
142093C-C chemokine receptor type 4P51680Ccr4Mus musculus (Mouse)360
142094C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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