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Ligand

NameCHEMBL3589949
Molecular formulaC32H33F5N2O2
IUPAC name2-(4-fluorophenyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
Molecular weight572.62
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50097894
Inchi KeyOVVRQDCJYWDMFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H33F5N2O2/c1-21-16-24-4-2-3-5-29(24)31(41-21)11-14-39(15-12-31)13-10-28(23-6-8-26(33)9-7-23)30(40)38-20-22-17-25(32(35,36)37)19-27(34)18-22/h2-9,17-19,21,28H,10-16,20H2,1H3,(H,38,40)
PubChem CID122181235
ChEMBLCHEMBL3589949
IUPHARN/A
BindingDB50097894
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
494095C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
494096C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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