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Ligand

NameCHEMBL271127
Molecular formulaC29H33N3O3
IUPAC name[9-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-2-ylmethanone
Molecular weight471.601
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50411749
Inchi KeyALWYLDGQXRIBHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N3O3/c1-34-26-11-4-5-12-27(26)35-25-10-3-2-8-23(25)22-31-18-13-29(14-19-31)15-20-32(21-16-29)28(33)24-9-6-7-17-30-24/h2-12,17H,13-16,18-22H2,1H3
PubChem CID44457089
ChEMBLCHEMBL271127
IUPHARN/A
BindingDB50411749
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
8631C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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