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Ligand

NameCHEMBL3397998
Molecular formulaC30H40ClFN4O2
IUPAC name1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]piperidine-4-carboxamide
Molecular weight543.124
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50062981
1-acetyl-N-(3-chloro-4-methyl-phenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]piperidine-4-carboxamide
Inchi KeyAOCCUSCVPQOIRN-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H40ClFN4O2/c1-23-5-10-28(21-29(23)31)36(30(38)26-11-17-35(18-12-26)24(2)37)16-4-14-33-13-3-15-34(20-19-33)22-25-6-8-27(32)9-7-25/h5-10,21,26H,3-4,11-20,22H2,1-2H3
PubChem CID118727187
ChEMBLCHEMBL3397998
IUPHARN/A
BindingDB50062981
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
442094C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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