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Ligand

NameCHEMBL584087
Molecular formulaC25H32N4O3
IUPAC name(2-aminopyridin-4-yl)-[9-[(2,2-dimethyl-1,3-benzodioxol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
Molecular weight436.556
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50414975
SCHEMBL4235283
Inchi KeyCSPRWLXCNMAWKC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32N4O3/c1-24(2)31-20-5-3-4-19(22(20)32-24)17-28-12-7-25(8-13-28)9-14-29(15-10-25)23(30)18-6-11-27-21(26)16-18/h3-6,11,16H,7-10,12-15,17H2,1-2H3,(H2,26,27)
PubChem CID16065704
ChEMBLCHEMBL584087
IUPHARN/A
BindingDB50414975
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
49634C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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