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Ligand

NameCHEMBL3589846
Molecular formulaC33H33F7N2O2
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
Molecular weight622.628
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP7.1
SynonymsBDBM50097890
Inchi KeyWMUZVSBPEOTIEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H33F7N2O2/c1-21-16-24-4-2-3-5-29(24)31(44-21)11-14-42(15-12-31)13-10-28(23-6-8-27(34)9-7-23)30(43)41-20-22-17-25(32(35,36)37)19-26(18-22)33(38,39)40/h2-9,17-19,21,28H,10-16,20H2,1H3,(H,41,43)
PubChem CID122181151
ChEMBLCHEMBL3589846
IUPHARN/A
BindingDB50097890
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
509487C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
509488C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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