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Ligand

NameCHEMBL3589842
Molecular formulaC25H28F4N2O2
IUPAC nameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
Molecular weight464.505
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50097882
Inchi KeyVCUDHYXMFJECKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28F4N2O2/c26-21-15-18(14-20(16-21)25(27,28)29)17-30-23(32)6-3-10-31-11-8-24(9-12-31)22-5-2-1-4-19(22)7-13-33-24/h1-2,4-5,14-16H,3,6-13,17H2,(H,30,32)
PubChem CID122181147
ChEMBLCHEMBL3589842
IUPHARN/A
BindingDB50097882
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
506425C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
506426C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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