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Ligand

NameCHEMBL3589843
Molecular formulaC26H30F4N2O2
IUPAC nameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
Molecular weight478.532
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50097883
Inchi KeyUOTTVBZTWTXCKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30F4N2O2/c1-18-13-20-5-2-3-6-23(20)25(34-18)8-11-32(12-9-25)10-4-7-24(33)31-17-19-14-21(26(28,29)30)16-22(27)15-19/h2-3,5-6,14-16,18H,4,7-13,17H2,1H3,(H,31,33)
PubChem CID122181148
ChEMBLCHEMBL3589843
IUPHARN/A
BindingDB50097883
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
505204C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
505205C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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