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Ligand

NameCHEMBL495737
Molecular formulaC29H38ClN5O3
IUPAC name[1-[1-[4-[2-(4-chlorophenyl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol
Molecular weight540.105
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50265749
1''-(4-{[2-(4-Chlorophenyl)ethyl]amino}-6,7-dimethoxyquinazolin-2-yl)-1,40-bipiperidin-3-yl]methanol
Inchi KeyPTAGCXBAEBBEDM-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38ClN5O3/c1-37-26-16-24-25(17-27(26)38-2)32-29(33-28(24)31-12-9-20-5-7-22(30)8-6-20)34-14-10-23(11-15-34)35-13-3-4-21(18-35)19-36/h5-8,16-17,21,23,36H,3-4,9-15,18-19H2,1-2H3,(H,31,32,33)
PubChem CID44581103
ChEMBLCHEMBL495737
IUPHARN/A
BindingDB50265749
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
268166C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
268167C-C chemokine receptor type 4P51680Ccr4Mus musculus (Mouse)360

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