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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL271768
Molecular formulaC28H31N3O2
IUPAC name[9-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-4-ylmethanone
Molecular weight441.575
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50423496
SCHEMBL5394977
Inchi KeyIRDUJBOZWQOVPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N3O2/c32-27(23-10-16-29-17-11-23)31-20-14-28(15-21-31)12-18-30(19-13-28)22-24-6-4-5-9-26(24)33-25-7-2-1-3-8-25/h1-11,16-17H,12-15,18-22H2
PubChem CID44457093
ChEMBLCHEMBL271768
IUPHARN/A
BindingDB50423496
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
139866C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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