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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

NameCHEMBL240462
Molecular formulaC26H26N4O2
IUPAC name3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-quinolin-4-yl-1,3-oxazolidin-2-one
Molecular weight426.52
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50423262
SCHEMBL6919170
Inchi KeyCPIBHOSTAJXYKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N4O2/c31-26-30(17-25(32-26)22-9-12-27-24-8-4-2-6-21(22)24)20-10-13-29(14-11-20)16-19-15-18-5-1-3-7-23(18)28-19/h1-9,12,15,20,25,28H,10-11,13-14,16-17H2
PubChem CID44439843
ChEMBLCHEMBL240462
IUPHARN/A
BindingDB50423262
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
47361C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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