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Ligand

NameCHEMBL3904295
Molecular formulaC27H35N3O2
IUPAC name1-[1-(3-benzamidophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight433.596
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.6
SynonymsSCHEMBL18035160
BDBM243643
US9428456, 1.165
Inchi KeyCBSDCXGDCKHMIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H35N3O2/c1-20(23-11-8-14-25(19-23)29-26(31)21-9-4-2-5-10-21)30-17-15-22(16-18-30)27(32)28-24-12-6-3-7-13-24/h2,4-5,8-11,14,19-20,22,24H,3,6-7,12-13,15-18H2,1H3,(H,28,32)(H,29,31)
PubChem CID122504790
ChEMBLCHEMBL3904295
IUPHARN/A
BindingDB243643
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
536964Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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