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Ligand

NameCHEMBL3759362
Molecular formulaC22H33ClN4O4
IUPAC nameN-[(3R,4S)-1-[(1-acetylpiperidin-4-yl)methyl]-3-methoxypiperidin-4-yl]-4-amino-5-chloro-2-methoxybenzamide
Molecular weight452.98
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.5
SynonymsSCHEMBL3311961
BDBM50142903
Inchi KeyAACMOCSSQXOERG-PZJWPPBQSA-N
Inchi IDInChI=1S/C22H33ClN4O4/c1-14(28)27-8-4-15(5-9-27)12-26-7-6-19(21(13-26)31-3)25-22(29)16-10-17(23)18(24)11-20(16)30-2/h10-11,15,19,21H,4-9,12-13,24H2,1-3H3,(H,25,29)/t19-,21+/m0/s1
PubChem CID68591735
ChEMBLCHEMBL3759362
IUPHARN/A
BindingDB50142903
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
5214425-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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