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Ligand

NameCHEMBL394714
Molecular formulaC28H33N3O3S
IUPAC name(2S)-N-(1-benzylpiperidin-4-yl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
Molecular weight491.65
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50209263
(S)-N-(1-benzylpiperidin-4-yl)-N-methyl-1-(naphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
Inchi KeyCUYJDHLGVFOIFR-MHZLTWQESA-N
Inchi IDInChI=1S/C28H33N3O3S/c1-29(25-15-18-30(19-16-25)21-22-8-3-2-4-9-22)28(32)27-12-7-17-31(27)35(33,34)26-14-13-23-10-5-6-11-24(23)20-26/h2-6,8-11,13-14,20,25,27H,7,12,15-19,21H2,1H3/t27-/m0/s1
PubChem CID44440051
ChEMBLCHEMBL394714
IUPHARN/A
BindingDB50209263
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
51259C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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