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Ligand

NameCHEMBL568294
Molecular formulaC29H40N4O2
IUPAC name(5-aminopyridin-2-yl)-[9-[(2-tert-butyl-2-methyl-3H-1-benzofuran-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
Molecular weight476.665
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50414980
Inchi KeyFURLYCMNDIFIIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H40N4O2/c1-27(2,3)28(4)18-23-21(6-5-7-25(23)35-28)20-32-14-10-29(11-15-32)12-16-33(17-13-29)26(34)24-9-8-22(30)19-31-24/h5-9,19H,10-18,20,30H2,1-4H3
PubChem CID45483880
ChEMBLCHEMBL568294
IUPHARN/A
BindingDB50414980
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
87688C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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