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Ligand

NameCHEMBL2322844
Molecular formulaC20H26Cl2N4O2
IUPAC name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-5-methyl-3-propan-2-ylpyrazol-1-yl)ethanone
Molecular weight425.354
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50427080
SCHEMBL3464565
Inchi KeyCEWDBXQYSHILEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26Cl2N4O2/c1-13(2)20-19(22)14(3)26(23-20)12-18(27)25-9-7-24(8-10-25)15-5-6-16(21)17(11-15)28-4/h5-6,11,13H,7-10,12H2,1-4H3
PubChem CID57840435
ChEMBLCHEMBL2322844
IUPHARN/A
BindingDB50427080
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
40342C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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