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Ligand

NameCHEMBL2180537
Molecular formulaC20H29ClN2O2
IUPAC nameN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylpropanamide
Molecular weight364.914
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50399261
SCHEMBL2160602
Inchi KeyBLASTQMPHSPAPH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H29ClN2O2/c1-13(2)18(22-19(24)14(3)4)20(25)23-11-9-16(10-12-23)15-5-7-17(21)8-6-15/h5-8,13-14,16,18H,9-12H2,1-4H3,(H,22,24)
PubChem CID24759740
ChEMBLCHEMBL2180537
IUPHARN/A
BindingDB50399261
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
26350C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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