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Ligand

NameCHEMBL3263023
Molecular formulaC25H29N5O2
IUPAC nameN-[5-(4-benzylpiperazin-1-yl)-2-propan-2-yloxyphenyl]pyrazine-2-carboxamide
Molecular weight431.54
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50013304
Inchi KeyAANOMZQEAPYXAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N5O2/c1-19(2)32-24-9-8-21(16-22(24)28-25(31)23-17-26-10-11-27-23)30-14-12-29(13-15-30)18-20-6-4-3-5-7-20/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,28,31)
PubChem CID90656325
ChEMBLCHEMBL3263023
IUPHARN/A
BindingDB50013304
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
360C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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