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Ligand

NameCHEMBL3263322
Molecular formulaC27H34N6O2
IUPAC nameN-[5-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-2-propan-2-yloxyphenyl]pyrazine-2-carboxamide
Molecular weight474.609
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50013325
Inchi KeyAGESNOWGWUMTQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N6O2/c1-20(2)35-26-10-9-23(17-24(26)30-27(34)25-18-28-11-12-29-25)33-15-13-32(14-16-33)19-21-5-7-22(8-6-21)31(3)4/h5-12,17-18,20H,13-16,19H2,1-4H3,(H,30,34)
PubChem CID90656343
ChEMBLCHEMBL3263322
IUPHARN/A
BindingDB50013325
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
4812C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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