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Ligand

NameCHEMBL382252
Molecular formulaC29H38Cl2N4O4S
IUPAC nameN-[3-[4-[(3-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
Molecular weight609.607
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
Synonyms4-Piperidinecarboxamide, N-[3-[4-[[3-(aminocarbonyl)phenyl]methyl]-1-piperidinyl]propyl]-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)-
BDBM50185964
N-[3-[4-[(3-carbamoylphenyl)methyl]-1-piperidyl]propyl]-N-(3,4-dichlorophenyl)-1-methylsulfonyl-piperidine-4-carboxamide
N-{3-[4-(3-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
Inchi KeyACMGXLBBZHJYMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-16-10-23(11-17-34)29(37)35(25-6-7-26(30)27(31)20-25)13-3-12-33-14-8-21(9-15-33)18-22-4-2-5-24(19-22)28(32)36/h2,4-7,19-21,23H,3,8-18H2,1H3,(H2,32,36)
PubChem CID11570778
ChEMBLCHEMBL382252
IUPHARN/A
BindingDB50185964
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1695C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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