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Ligand

NameCHEMBL3589844
Molecular formulaC26H30F4N2O3
IUPAC nameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
Molecular weight494.531
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50097885
Inchi KeyXMQLWLWSABJNMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30F4N2O3/c1-34-22-4-5-23-19(15-22)6-12-35-25(23)7-10-32(11-8-25)9-2-3-24(33)31-17-18-13-20(26(28,29)30)16-21(27)14-18/h4-5,13-16H,2-3,6-12,17H2,1H3,(H,31,33)
PubChem CID122181149
ChEMBLCHEMBL3589844
IUPHARN/A
BindingDB50097885
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
511762C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
511763C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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