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Ligand

NameCHEMBL382826
Molecular formulaC22H27Cl2N5O2
IUPAC name[4-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-(1-methylpiperidin-3-yl)methanone
Molecular weight464.391
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50175673
(4-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-yl)piperazin-1-yl)(1-methylpiperidin-3-yl)methanone
Inchi KeyABSGSZGHJIFBCI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27Cl2N5O2/c1-27-8-2-3-16(14-27)21(30)28-9-11-29(12-10-28)22-25-7-6-20(26-22)31-15-17-4-5-18(23)13-19(17)24/h4-7,13,16H,2-3,8-12,14-15H2,1H3
PubChem CID44406247
ChEMBLCHEMBL382826
IUPHARN/A
BindingDB50175673
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
1125C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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