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Ligand

NameCHEMBL341928
Molecular formulaC30H39BrN4O3
IUPAC name2-[(E)-[(4-bromophenyl)-[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methylidene]amino]oxy-N-methylacetamide
Molecular weight583.571
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.3
SynonymsAC1NUYB2
2-[1-(4-Bromo-phenyl)-1-[1''-(2,6-dimethyl-benzoyl)-4''-methyl-[1,4'']bipiperidinyl-4-yl]-meth-(E)-ylideneaminooxy]-N-methyl-acetamide
BDBM50134081
2-[(E)-[(4-bromophenyl)-[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methylidene]amino]oxy-N-methylacetamide
Inchi KeyAKFKVWRGZGPBHW-MDVFONAFSA-N
Inchi IDInChI=1S/C30H39BrN4O3/c1-21-6-5-7-22(2)27(21)29(37)34-18-14-30(3,15-19-34)35-16-12-24(13-17-35)28(33-38-20-26(36)32-4)23-8-10-25(31)11-9-23/h5-11,24H,12-20H2,1-4H3,(H,32,36)/b33-28-
PubChem CID5496103
ChEMBLCHEMBL341928
IUPHARN/A
BindingDB50134081
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
7490C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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