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Ligand

NameCHEMBL270971
Molecular formulaC29H33N3O4
IUPAC name[9-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
Molecular weight487.6
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
Synonyms3-[2-(2-methoxyphenoxy)benzyl]-9-(1-oxidoisonicotinoyl)-3,9-diazaspiro[5.5]undecane
SCHEMBL4177993
BDBM50414965
DVQXAHGZSWJSQT-UHFFFAOYSA-N
Inchi KeyDVQXAHGZSWJSQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N3O4/c1-35-26-8-4-5-9-27(26)36-25-7-3-2-6-24(25)22-30-18-12-29(13-19-30)14-20-31(21-15-29)28(33)23-10-16-32(34)17-11-23/h2-11,16-17H,12-15,18-22H2,1H3
PubChem CID11950828
ChEMBLCHEMBL270971
IUPHARN/A
BindingDB50414965
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70140C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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